Vitas-M small molecule compound
(2R,3'E,6'R)-3'-(1-{[(5-bromo-1H-1,2,4-triazol-3-yl)methyl]amino}ethylidene)-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL579660
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCc2n[nH]c(n2)Br)/C)/C1=O)Cl
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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 C21H20BrClN4O6 MW 539.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClN4O6/c1-8-5-10(28)14(9(2)24-7-13-25-20(22)27-26-13)18(29)21(8)19(30)15-11(31-3)6-12(32-4)16(23)17(15)33-21/h6,8,24H,5,7H2,1-4H3,(H,25,26,27)/b14-9+/t8-,21+/m1/s1InChIKey
MAGQPUPNRMIISI-YFCDGWEXSA-NSynonyms
(1R6RE)3(1(((3bromo1H124triazol5yl)methyl)amino)ethylidene)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)3(1(((5bromo1H124triazol3yl)methyl)amino)ethylidene)7chloro46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(NCc2(nH)nc(n2)Br)C)C1=O)Cl
InChI=1SC21H20BrClN4O6c18510(28)14(9(2)247132520(22)272613)18(29)21(8)19(30)1511(313)612(324)16(23)17(15)3321h6824H57H214H3(H252627)b149+t821+m1s1
MFCD33397988
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