Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-{3-(methylsulfonyl)-1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide
Catalog ID
STL561883
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NC(c1onc(n1)c1cccnc1)CCS(=O)(=O)C)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C38H35ClN4O11S MW 791.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN4O11S/c1-19-15-26-29(34(45)38(19)35(46)30-25(50-3)17-27(51-4)31(39)33(30)53-38)23(32(52-26)20-8-10-22(49-2)11-9-20)16-28(44)41-24(12-14-55(5,47)48)37-42-36(43-54-37)21-7-6-13-40-18-21/h6-11,13,17-19,24H,12,14-16H2,1-5H3,(H,41,44)/t19-,24InChIKey
HOQHSQGPMFKDFF-GBARIVGVSA-NSynonyms
145705237
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N(3(METHYLSULFONYL)1(3(PYRIDIN3YL)124OXADIAZOL5YL)PROP
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(3(methylsulfonyl)1(3(pyridin3yl)124oxadiazol5yl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(3(methylsulfonyl)1(3(pyridin3yl)124oxadiazol5yl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(3methylsulfonyl1(3pyridin3yl124oxadiazol5yl)propyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NC(c1onc(n1)c1cccnc1)CCS(=O)(=O)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC38H35ClN4O11Sc119152629(34(45)38(19)35(46)3025(503)1727(514)31(39)33(30)5338)23(32(5226)2081022(492)11920)1628(44)4124(121455(547)48)374236(435437)217613401821h61113171924H121416H215H3(H4144)t1924?38+m1s1
MFCD32650943
ZINC001848442735
ZINC001848442736
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