Vitas-M small molecule compound
tert-butyl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methyl-4-pentanoylthiophene-2-carboxylate
Catalog ID
STK878450
SMILES CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OC(C)(C)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 C20H25N3O5S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S2/c1-6-7-8-12(24)13-10(2)14(18(27)28-20(3,4)5)30-17(13)21-9-11-15(25)22-19(29)23-16(11)26/h9,21H,6-8H2,1-5H3,(H2,22,23,25,26,29)InChIKey
YARXEFFGAMWTIO-UHFFFAOYSA-NSynonyms
CCCCC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC20H25N3O5S2c167812(24)1310(2)14(18(27)2820(34)5)3017(13)2191115(25)2219(29)2316(11)26h921H68H215H3(H22223252629)
MFCD18170309
tertbutyl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methyl4pentanoylthiophene2carboxylate
tertbutyl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methyl4pentanoylthiophene2carboxylate
ZINC000040476941
ZINC40476941
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