Vitas-M small molecule compound
methyl 2-({[2-(3-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK423601
SMILES CCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCCCCCCCC2
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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 C34H38N2O4S MW 570.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O4S/c1-3-40-24-16-14-15-23(21-24)29-22-27(25-17-12-13-19-28(25)35-29)32(37)36-33-31(34(38)39-2)26-18-10-8-6-4-5-7-9-11-20-30(26)41-33/h12-17,19,21-22H,3-11,18,20H2,1-2H3,(H,36,37)InChIKey
IBKMWRVSTPXSIW-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC
InChI=1SC34H38N2O4Sc13402416141523(2124)292227(251712131928(25)3529)32(37)363331(34(38)392)261810864579112030(26)4133h1217192122H3111820H212H3(H3637)
methyl2(((2(3ethoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((2(3ethoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD01923277
ZINC000002754341
ZINC2754341
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