Vitas-M small molecule compound
(5E)-1-(3-chloro-2-methylphenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189443
SMILES COc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
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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 C23H18ClN3O3S MW 451.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O3S/c1-14-19(24)6-3-7-20(14)27-22(29)18(21(28)25-23(27)31)13-16-5-4-12-26(16)15-8-10-17(30-2)11-9-15/h3-13H,1-2H3,(H,25,28,31)/b18-13+InChIKey
JRQQXNZUKHTACS-QGOAFFKASA-NSynonyms
(5E)1(3CHLORO2METHYLPHENYL)5((1(4METHOXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3CHLORO2METHYLPHENYL)5((1(4METHOXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)OC)C(=O)NC2=S
COc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
InChI=1SC23H18ClN3O3Sc11419(24)63720(14)2722(29)18(21(28)2523(27)31)1316541226(16)1581017(302)11915h313H12H3(H252831)b1813+
MFCD03923145
ZINC000001130514
ZINC01130514
ZINC1130514
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