Vitas-M small molecule compound
ethyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK188189
SMILES CCOC(=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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-6-29-21(28)15-8-7-9-17(11-15)25-13(2)10-16(14(25)3)12-18-19(26)23(4)22(30)24(5)20(18)27/h7-12H,6H2,1-5H3InChIKey
XVSFKAZJVKFWCL-UHFFFAOYSA-NSynonyms
425658-48-6425658486
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C
ETHYL3(3((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ETHYL3(3((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
InChI=1SC22H23N3O4Sc162921(28)1587917(1115)2513(2)1016(14(25)3)121819(26)23(4)22(30)24(5)20(18)27h712H6H215H3
MFCD02609372
ZINC000001180210
ZINC01180210
ZINC1180210
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