Vitas-M small molecule compound
ethyl 2-({[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL079741
SMILES CCOC(=O)c1c(NC(=S)NC(=O)CN2C(=O)C3C(C2=O)C2CC3C=C2)sc(c1C)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 C21H23N3O5S2 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S2/c1-4-29-20(28)14-9(2)10(3)31-17(14)23-21(30)22-13(25)8-24-18(26)15-11-5-6-12(7-11)16(15)19(24)27/h5-6,11-12,15-16H,4,7-8H2,1-3H3,(H2,22,23,25,30)InChIKey
VSPVKBZENHXSEH-UHFFFAOYSA-NSynonyms
473705-11-2473705112
CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4
ETHYL2(((((3AR4R7R7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)ACETYL)CARBAMOTHIOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2((((13dioxo133a477ahexahydro2H47methanoisoindol2yl)acetyl)carbamothioyl)amino)45dimethylthiophene3carboxylate
ETHYL2(3(2(13DIOXO3A477ATETRAHYDRO1H47METHANOISOINDOL2(3H)YL)ACETYL)THIOUREIDO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H23N3O5S2c142920(28)149(2)10(3)3117(14)2321(30)2213(25)82418(26)15115612(711)16(15)19(24)27h5611121516H478H213H3(H222232530)
MFCD02658567
ZINC000100775640
ZINC000101669039
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