Vitas-M small molecule compound
propan-2-yl 2-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK428819
SMILES CC(OC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)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 C35H38N2O5S MW 598.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O5S/c1-22(2)42-35(39)32-25-14-9-7-5-3-4-6-8-10-16-31(25)43-34(32)37-33(38)26-20-28(36-27-15-12-11-13-24(26)27)23-17-18-29-30(19-23)41-21-40-29/h11-13,15,17-20,22H,3-10,14,16,21H2,1-2H3,(H,37,38)InChIKey
LDXIDWSDQWDDNF-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6
InChI=1SC35H38N2O5Sc122(2)4235(39)3225149753468101631(25)4334(32)3733(38)262028(36271512111324(26)27)2317182930(1923)41214029h111315172022H310141621H212H3(H3738)
MFCD03233929
propan2yl2(((2(13benzodioxol5yl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((2(13benzodioxol5yl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000002108091
ZINC02108091
ZINC2108091
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