Vitas-M small molecule compound
propyl 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
STK428573
SMILES CCCOC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)OCC
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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/c1-3-21-43-36(41)33-27-13-11-9-7-5-6-8-10-12-14-32(27)44-35(33)39-34(40)29-23-31(24-15-18-26(19-16-24)42-4-2)38-30-20-17-25(37)22-28(29)30/h15-20,22-23H,3-14,21H2,1-2H3,(H,39,40)InChIKey
FAYGDMUSZYIOHP-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)OCC
InChI=1SC36H41BrN2O4Sc13214336(41)332713119756810121432(27)4435(33)3934(40)292331(24151826(191624)4242)3830201725(37)2228(29)30h15202223H31421H212H3(H3940)
MFCD03233997
propyl2(((6bromo2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propyl2((6bromo2(4ethoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000008454657
ZINC08454657
ZINC8454657
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