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-{[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](phenyl)methyl}acetamide
Catalog ID
STL561556
SMILES COCc1nnc([nH]1)C(c1ccccc1)NC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)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 C38H35ClN4O9 MW 727.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN4O9/c1-19-15-25-29(35(45)38(19)36(46)30-24(49-4)17-26(50-5)31(39)34(30)52-38)23(33(51-25)21-11-13-22(48-3)14-12-21)16-28(44)41-32(20-9-7-6-8-10-20)37-40-27(18-47-2)42-43-37/h6-14,17,19,32H,15-16,18H2,1-5H3,(H,41,44)(H,40,42,43)/t19-,32?,InChIKey
HYNTVQRVNQTVNS-PQAHDSJLSA-NSynonyms
145704913
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N((5(METHOXYMETHYL)4H124TRIAZOL3YL)(PHENYL)METHYL)ACETAMID
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((5(methoxymethyl)4H124triazol3yl)(phenyl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((5(methoxymethyl)1H124triazol3yl)(phenyl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((5(methoxymethyl)1H124triazol3yl)phenylmethyl)acetamide
COCc1(nH)nc(n1)C(c1ccccc1)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC
InChI=1SC38H35ClN4O9c119152529(35(45)38(19)36(46)3024(494)1726(505)31(39)34(30)5238)23(33(5125)21111322(483)141221)1628(44)4132(2097681020)374027(18472)424337h614171932H151618H215H3(H4144)(H404243)t1932?38+m1s1
MFCD32650621
ZINC001848442752
ZINC001848442753
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