Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK046783
SMILES Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccccc2)/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 C21H14ClN3O2S MW 407.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O2S/c22-14-8-10-16(11-9-14)25-20(27)18(19(26)23-21(25)28)13-17-7-4-12-24(17)15-5-2-1-3-6-15/h1-13H,(H,23,26,28)/b18-13+InChIKey
BZZRYPZQNODVPD-QGOAFFKASA-NSynonyms
428488-55-5(5E)1(4CHLOROPHENYL)5((1PHENYL1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(4CHLOROPHENYL)5((1PHENYLPYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
428488555
C1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccccc2)C1=O
InChI=1SC21H14ClN3O2Sc221481016(11914)2520(27)18(19(26)2321(25)28)1317741224(17)155213615h113H(H232628)b1813+
MFCD02605245
STK046783
ZINC000001173985
ZINC01173985
ZINC1173985
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