Vitas-M small molecule compound
methyl 2-({[2-(4-propoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK423644
SMILES CCCOc1ccc(cc1)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 C35H40N2O4S MW 584.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O4S/c1-3-22-41-25-20-18-24(19-21-25)30-23-28(26-14-12-13-16-29(26)36-30)33(38)37-34-32(35(39)40-2)27-15-10-8-6-4-5-7-9-11-17-31(27)42-34/h12-14,16,18-21,23H,3-11,15,17,22H2,1-2H3,(H,37,38)InChIKey
FEWABJNLJCFVNP-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC
InChI=1SC35H40N2O4Sc13224125201824(192125)302328(261412131629(26)3630)33(38)373432(35(39)402)271510864579111731(27)4234h121416182123H311151722H212H3(H3738)
methyl2(((2(4propoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((2(4propoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD01922727
ZINC000097948599
ZINC97948599
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