Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3,4'-dioxo-2'-phenyl-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-{[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl](4-methoxyphenyl)methyl}acetamide
Catalog ID
STL579528
SMILES COCc1n[nH]c(n1)C(c1ccc(cc1)OC)NC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccccc1
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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)21-9-7-6-8-10-21)16-28(44)41-32(20-11-13-22(48-3)14-12-20)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
IDMFQCMFTYPYDP-PQAHDSJLSA-NSynonyms
2((2R6R)7chloro46dimethoxy6methyl34dioxo2phenyl67dihydro3H4H25spirobi((1)benzofuran)3yl)N((3(methoxymethyl)1H124triazol5yl)(4methoxyphenyl)methyl)acetamide
2((2S6R)7chloro46dimethoxy6methyl34dioxo2phenyl67dihydro3H4H25spirobi(benzofuran)3yl)N((5(methoxymethyl)1H124triazol3yl)(4methoxyphenyl)methyl)acetamide
COCc1(nH)nc(n1)C(c1ccc(cc1)OC)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccccc1
MFCD33397855
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