Vitas-M small molecule compound
ethyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Catalog ID
STK878445
SMILES CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)Nc1ccccc1C
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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 C21H20N4O5S2 MW 472.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S2/c1-4-30-20(29)14-11(3)15(18(28)23-13-8-6-5-7-10(13)2)32-19(14)22-9-12-16(26)24-21(31)25-17(12)27/h5-9,22H,4H2,1-3H3,(H,23,28)(H2,24,25,26,27,31)InChIKey
HAEYBXXYRGOMLT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC=C3C(=O)NC(=S)NC3=O
ethyl2(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4methyl5((2methylphenyl)carbamoyl)thiophene3carboxylate
ETHYL2(((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)4METHYL5(OTOLYLCARBAMOYL)THIOPHENE3CARBOXYLATE
ethyl2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)4methyl5((2methylphenyl)carbamoyl)thiophene3carboxylate
InChI=1SC21H20N4O5S2c143020(29)1411(3)15(18(28)2313865710(13)2)3219(14)2291216(26)2421(31)2517(12)27h5922H4H213H3(H2328)(H22425262731)
MFCD11992837
ZINC000017297258
ZINC17297258
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