Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187971
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cccn2c2ccc(cc2)Cl)/C1=O
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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/c1-2-30-19-7-3-5-18(13-19)27-22(29)20(21(28)25-23(27)31)14-17-6-4-12-26(17)16-10-8-15(24)9-11-16/h3-14H,2H2,1H3,(H,25,28,31)/b20-14-InChIKey
YEZHNURGJKGJIB-ZHZULCJRSA-NSynonyms
(5Z)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)Cl)C1=O
InChI=1SC23H18ClN3O3Sc12301973518(1319)2722(29)20(21(28)2523(27)31)1417641226(17)1610815(24)91116h314H2H21H3(H252831)b2014
MFCD02615105
ZINC000006389413
ZINC06389413
ZINC6389413
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