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}-2-methylbenzoate
Catalog ID
STK188114
SMILES COC(=O)c1cccc(c1C)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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-12-10-15(11-17-19(26)23(4)22(30)24(5)20(17)27)14(3)25(12)18-9-7-8-16(13(18)2)21(28)29-6/h7-11H,1-6H3InChIKey
WBJJDPNYEDAFAP-UHFFFAOYSA-NSynonyms
426237-67-4426237674
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC22H23N3O4Sc1121015(111719(26)23(4)22(30)24(5)20(17)27)14(3)25(12)1897816(13(18)2)21(28)296h711H16H3
METHYL3(3((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
METHYL3(3((13DIMETHYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
MFCD02609024
ZINC000000980480
ZINC00980480
ZINC980480
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