Vitas-M small molecule compound
ethyl 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
STK423637
SMILES CCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)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 C36H42N2O4S MW 598.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N2O4S/c1-3-23-42-26-21-19-25(20-22-26)31-24-29(27-15-13-14-17-30(27)37-31)34(39)38-35-33(36(40)41-4-2)28-16-11-9-7-5-6-8-10-12-18-32(28)43-35/h13-15,17,19-22,24H,3-12,16,18,23H2,1-2H3,(H,38,39)InChIKey
MSVLYEBYEGWXGN-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OCC
ethyl2(((2(4propoxyphenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2((2(4propoxyphenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC36H42N2O4Sc13234226211925(202226)312429(271513141730(27)3731)34(39)383533(36(40)4142)2816119756810121832(28)4335h131517192224H312161823H212H3(H3839)
MFCD01922629
ZINC000097948720
ZINC97948720
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