Vitas-M small molecule compound
methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Catalog ID
STK878435
SMILES COC(=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 C20H18N4O5S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S2/c1-9-6-4-5-7-12(9)22-17(27)14-10(2)13(19(28)29-3)18(31-14)21-8-11-15(25)23-20(30)24-16(11)26/h4-8,21H,1-3H3,(H,22,27)(H2,23,24,25,26,30)InChIKey
OLIYJEVWKXMVRI-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC=C3C(=O)NC(=S)NC3=O)C(=O)OC)C
InChI=1SC20H18N4O5S2c19645712(9)2217(27)1410(2)13(19(28)293)18(3114)2181115(25)2320(30)2416(11)26h4821H13H3(H2227)(H22324252630)
methyl2(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4methyl5((2methylphenyl)carbamoyl)thiophene3carboxylate
methyl2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)4methyl5((2methylphenyl)carbamoyl)thiophene3carboxylate
MFCD18170303
ZINC000040476929
ZINC40476929
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