Vitas-M small molecule compound
ethyl 2-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK445983
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(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 C32H32N2O5S MW 556.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O5S/c1-5-37-31(36)28-21-12-11-19(32(2,3)4)15-27(21)40-30(28)34-29(35)22-16-24(33-23-9-7-6-8-20(22)23)18-10-13-25-26(14-18)39-17-38-25/h6-10,13-14,16,19H,5,11-12,15,17H2,1-4H3,(H,34,35)InChIKey
JXTVUUIOALCZLF-UHFFFAOYSA-NSynonyms
353770-83-9353770839
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6
ethyl2(((2(13benzodioxol5yl)quinolin4yl)carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(13benzodioxol5yl)quinoline4carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H32N2O5Sc153731(36)2821121119(32(23)4)1527(21)4030(28)3429(35)221624(3323976820(22)23)1810132526(1418)39173825h61013141619H511121517H214H3(H3435)
MFCD02054634
ZINC000002086523
ZINC000002086524
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