Vitas-M small molecule compound
(5Z)-1-(3-chloro-4-methylphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175266
SMILES O=C1NC(=O)N(C(=O)/C/1=C\C1C(=NN(C1=O)c1ccccc1)C)c1ccc(c(c1)Cl)C
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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 C22H17ClN4O4 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O4/c1-12-8-9-15(10-18(12)23)26-20(29)17(19(28)24-22(26)31)11-16-13(2)25-27(21(16)30)14-6-4-3-5-7-14/h3-11,16H,1-2H3,(H,24,28,31)/b17-11-InChIKey
GUDPBJAHALBPHM-BOPFTXTBSA-NSynonyms
(5Z)1(3CHLORO4METHYLPHENYL)5((3METHYL5OXO1PHENYL45DIHYDRO1HPYRAZOL4YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(3CHLORO4METHYLPHENYL)5((3METHYL5OXO1PHENYL4HPYRAZOL4YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)NC2=O)Cl
InChI=1SC22H17ClN4O4c1128915(1018(12)23)2620(29)17(19(28)2422(26)31)111613(2)2527(21(16)30)146435714h31116H12H3(H242831)b1711
MFCD03711458
O=C1NC(=O)N(C(=O)C1=CC1C(=NN(C1=O)c1ccccc1)C)c1ccc(c(c1)Cl)C
ZINC000009259959
ZINC000014011011
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