Vitas-M small molecule compound
(5Z)-5-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK059014
SMILES CCc1ccccc1n1c(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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-4-17-7-5-6-8-22(17)28-15(2)13-18(16(28)3)14-21-23(30)27-25(32)29(24(21)31)20-11-9-19(26)10-12-20/h5-14H,4H2,1-3H3,(H,27,30,32)/b21-14-InChIKey
OFVSKRJRAHBVLK-STZFKDTASA-NSynonyms
(5Z)5((1(2ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(2ethylphenyl)25dimethylpyrrol3yl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
CCC1=CC=CC=C1N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)C
CCc1ccccc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
InChI=1SC25H22FN3O2Sc1417756822(17)2815(2)1318(16(28)3)142123(30)2725(32)29(24(21)31)2011919(26)101220h514H4H213H3(H273032)b2114
MFCD03228521
STK059014
ZINC000009311661
ZINC09311661
ZINC9311661
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