Vitas-M small molecule compound
(5E)-3-(4-chlorophenyl)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK854728
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2cccnc2)C)/C1=O)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 C22H17ClN4O3 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3/c1-13-10-15(14(2)26(13)18-4-3-9-24-12-18)11-19-20(28)25-22(30)27(21(19)29)17-7-5-16(23)6-8-17/h3-12H,1-2H3,(H,25,28,30)/b19-11+InChIKey
JXEBWXXRLNXFDO-YBFXNURJSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4chlorophenyl)5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylidene)6hydroxypyrimidine24(3H5H)dione
CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=O)N=C(C(=Cc2cc(n(c2C)c2cccnc2)C)C1=O)O
InChI=1SC22H17ClN4O3c1131015(14(2)26(13)18439241218)111920(28)2522(30)27(21(19)29)177516(23)6817h312H12H3(H252830)b1911+
MFCD08733615
ZINC000008739628
ZINC8739628
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