Vitas-M small molecule compound
methyl 2-({[6-bromo-2-(4-methylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK422378
SMILES COC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C
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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 C33H35BrN2O3S MW 619.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35BrN2O3S/c1-21-13-15-22(16-14-21)28-20-26(25-19-23(34)17-18-27(25)35-28)31(37)36-32-30(33(38)39-2)24-11-9-7-5-3-4-6-8-10-12-29(24)40-32/h13-20H,3-12H2,1-2H3,(H,36,37)InChIKey
NOVJFMBYDOOFRI-UHFFFAOYSA-NSynonyms
CC1=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
InChI=1SC33H35BrN2O3Sc121131522(161421)282026(251923(34)171827(25)3528)31(37)363230(33(38)392)24119753468101229(24)4032h1320H312H212H3(H3637)
methyl2(((6bromo2(4methylphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((6bromo2(4methylphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD02176670
ZINC000097948945
ZINC97948945
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