Vitas-M small molecule compound
methyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STL023853
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-12-9-15(11-17-18(25)22(3)21(29)23(4)19(17)26)13(2)24(12)16-8-6-7-14(10-16)20(27)28-5/h6-11H,1-5H3InChIKey
UEQBNAHIBZOBBC-UHFFFAOYSA-NSynonyms
585556-70-3585556703
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC21H21N3O4Sc112915(111718(25)22(3)21(29)23(4)19(17)26)13(2)24(12)1686714(1016)20(27)285h611H15H3
METHYL3(3((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL3(3((13DIMETHYL46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)BENZOATE
methyl3(3((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
MFCD02779414
ZINC000005111302
ZINC05111302
ZINC5111302
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