Vitas-M small molecule compound
methyl 2-[({2-[4-(propan-2-yl)phenyl]quinolin-4-yl}carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK423551
SMILES COC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(C)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 C35H40N2O3S MW 568.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O3S/c1-23(2)24-18-20-25(21-19-24)30-22-28(26-14-12-13-16-29(26)36-30)33(38)37-34-32(35(39)40-3)27-15-10-8-6-4-5-7-9-11-17-31(27)41-34/h12-14,16,18-23H,4-11,15,17H2,1-3H3,(H,37,38)InChIKey
GUTJCBBYBBESLM-UHFFFAOYSA-NSynonyms
CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC
InChI=1SC35H40N2O3Sc123(2)24182025(211924)302228(261412131629(26)3630)33(38)373432(35(39)403)271510864579111731(27)4134h1214161823H4111517H213H3(H3738)
methyl2(((2(4(propan2yl)phenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((2(4propan2ylphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD01923193
ZINC000002754226
ZINC2754226
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