Vitas-M small molecule compound
methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK436012
SMILES COC(=O)c1c(NC(=S)N2CCc3c(C2)cccc3)sc(c1c1ccccc1)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 C23H22N2O2S2 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O2S2/c1-15-19(17-9-4-3-5-10-17)20(22(26)27-2)21(29-15)24-23(28)25-13-12-16-8-6-7-11-18(16)14-25/h3-11H,12-14H2,1-2H3,(H,24,28)InChIKey
YCJBEXQTHMTFPA-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC)C4=CC=CC=C4
InChI=1SC23H22N2O2S2c11519(1794351017)20(22(26)272)21(2915)2423(28)251312168671118(16)1425h311H1214H212H3(H2428)
methyl2((34dihydroisoquinolin2(1H)ylcarbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2(34DIHYDRO1HISOQUINOLINE2CARBOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944422
ZINC000017093251
ZINC17093251
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