Vitas-M small molecule compound
N-(2-{[3-bromo-1-(methoxymethyl)-1H-1,2,4-triazol-5-yl]amino}ethyl)-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]acetamide
Catalog ID
STL561575
SMILES COCn1nc(nc1NCCNC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC)Br
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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 C33H33BrClN5O9 MW 759.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33BrClN5O9/c1-16-12-21-24(29(42)33(16)30(43)25-20(46-4)14-22(47-5)26(35)28(25)49-33)19(27(48-21)17-6-8-18(45-3)9-7-17)13-23(41)36-10-11-37-32-38-31(34)39-40(32)15-44-2/h6-9,14,16H,10-13,15H2,1-5H3,(H,36,41)(H,37,38,39)/t16-,33+/m1/s1InChIKey
HUWBEJFIQYQBML-KXSVPLAASA-NSynonyms
145704932
COCn1nc(nc1NCCNC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC)Br
InChI=1SC33H33BrClN5O9c116122124(29(42)33(16)30(43)2520(464)1422(475)26(35)28(25)4933)19(27(4821)176818(453)9717)1323(41)36101137323831(34)3940(32)15442h691416H101315H215H3(H3641)(H373839)t1633+m1s1
MFCD32650640
N(2((3BROMO1(METHOXYMETHYL)1H124TRIAZOL5YL)AMINO)ETHYL)2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)
N(2((3bromo1(methoxymethyl)1H124triazol5yl)amino)ethyl)2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetamide
N(2((3bromo1(methoxymethyl)1H124triazol5yl)amino)ethyl)2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)acetamide
N(2((5bromo2(methoxymethyl)124triazol3yl)amino)ethyl)2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)acetamide
ZINC001848442745
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