Vitas-M small molecule compound
ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL174700
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)Cl)sc2c1CCC(C2)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 C29H26ClN3O3S2 MW 564.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O3S2/c1-3-36-28(35)25-20-13-8-16(2)14-24(20)38-27(25)33-29(37)32-26(34)21-15-23(17-9-11-18(30)12-10-17)31-22-7-5-4-6-19(21)22/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H2,32,33,34,37)InChIKey
ULPJRBSQCCNTIZ-UHFFFAOYSA-NSynonyms
438194-65-1438194651
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
ethyl2((((2(4chlorophenyl)quinolin4yl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4chlorophenyl)quinoline4carbonyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H26ClN3O3S2c133628(35)252013816(2)1424(20)3827(25)3329(37)3226(34)211523(1791118(30)121017)3122754619(21)22h479121516H381314H212H3(H232333437)
MFCD02605231
ZINC000002805760
ZINC000002805761
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