Vitas-M small molecule compound
propan-2-yl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methyl-4-pentanoylthiophene-2-carboxylate
Catalog ID
STK878451
SMILES CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OC(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 C19H23N3O5S2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S2/c1-5-6-7-12(23)13-10(4)14(18(26)27-9(2)3)29-17(13)20-8-11-15(24)21-19(28)22-16(11)25/h8-9,20H,5-7H2,1-4H3,(H2,21,22,24,25,28)InChIKey
NIYTZFUOOYYHMZ-UHFFFAOYSA-NSynonyms
CCCCC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC19H23N3O5S2c156712(23)1310(4)14(18(26)279(2)3)2917(13)2081115(24)2119(28)2216(11)25h8920H57H214H3(H22122242528)
MFCD18170310
propan2yl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methyl4pentanoylthiophene2carboxylate
propan2yl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methyl4pentanoylthiophene2carboxylate
ZINC000040476943
ZINC40476943
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