Vitas-M small molecule compound
ethyl 3-(3-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK190138
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C26H22FN3O4S MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O4S/c1-4-34-25(33)17-6-5-7-21(13-17)29-15(2)12-18(16(29)3)14-22-23(31)28-26(35)30(24(22)32)20-10-8-19(27)9-11-20/h5-14H,4H2,1-3H3,(H,28,31,35)/b22-14-InChIKey
LASHJLAEPGERTO-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
ETHYL3(3((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ETHYL3(3((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
InChI=1SC26H22FN3O4Sc143425(33)1765721(1317)2915(2)1218(16(29)3)142223(31)2826(35)30(24(22)32)2010819(27)91120h514H4H213H3(H283135)b2214
MFCD03705997
ZINC000012349969
ZINC12349969
Check stock
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Check stock on Vitas-MAvailable files
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