Vitas-M small molecule compound
propan-2-yl 2-({[6-bromo-2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK428818
SMILES CCOc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2)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 C36H41BrN2O4S MW 677.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41BrN2O4S/c1-4-42-26-18-15-24(16-19-26)31-22-29(28-21-25(37)17-20-30(28)38-31)34(40)39-35-33(36(41)43-23(2)3)27-13-11-9-7-5-6-8-10-12-14-32(27)44-35/h15-23H,4-14H2,1-3H3,(H,39,40)InChIKey
HOVMSCAHSORINY-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC(C)C
InChI=1SC36H41BrN2O4Sc144226181524(161926)312229(282125(37)172030(28)3831)34(40)393533(36(41)4323(2)3)2713119756810121432(27)4435h1523H414H213H3(H3940)
MFCD03233996
propan2yl2(((6bromo2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((6bromo2(4ethoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000008454656
ZINC08454656
ZINC8454656
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