Vitas-M small molecule compound
(5E)-3-(5-chloro-2-methylphenyl)-6-hydroxy-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK569270
SMILES Clc1ccc(c(c1)N1C(=O)N=C(/C(=C\c2[nH]ccc2)/C1=O)O)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 C16H12ClN3O3 MW 329.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O3/c1-9-4-5-10(17)7-13(9)20-15(22)12(14(21)19-16(20)23)8-11-3-2-6-18-11/h2-8,18H,1H3,(H,19,21,23)/b12-8+InChIKey
YVEVFLQLKWLMHN-XYOKQWHBSA-NSynonyms
(5E)1(5CHLORO2METHYLPHENYL)5(1HPYRROL2YLMETHYLIDENE)13DIAZINANE246TRIONE
(5E)3(5chloro2methylphenyl)6hydroxy5(1Hpyrrol2ylmethylidene)pyrimidine24(3H5H)dione
CC1=C(C=C(C=C1)Cl)N2C(=O)C(=CC3=CC=CN3)C(=O)NC2=O
Clc1ccc(c(c1)N1C(=O)N=C(C(=Cc2(nH)ccc2)C1=O)O)C
InChI=1SC16H12ClN3O3c194510(17)713(9)2015(22)12(14(21)1916(20)23)8113261811h2818H1H3(H192123)b128+
MFCD05730970
ZINC000035974034
ZINC35974034
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