Vitas-M small molecule compound
(5Z)-1-(3-chloro-4-methylphenyl)-5-(4,5-dimethoxy-2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170154
SMILES COc1cc([N+](=O)[O-])c(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)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 C20H16ClN3O7 MW 445.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O7/c1-10-4-5-12(8-14(10)21)23-19(26)13(18(25)22-20(23)27)6-11-7-16(30-2)17(31-3)9-15(11)24(28)29/h4-9H,1-3H3,(H,22,25,27)/b13-6-InChIKey
XCRFHBBTLDWGKW-MLPAPPSSSA-NSynonyms
(5Z)1(3CHLORO4METHYLPHENYL)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3CHLORO4METHYLPHENYL)5(45DIMETHOXY2NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)NC2=O)Cl
COc1cc((N+)(=O)(O))c(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC20H16ClN3O7c1104512(814(10)21)2319(26)13(18(25)2220(23)27)611716(302)17(313)915(11)24(28)29h49H13H3(H222527)b136
MFCD03711422
ZINC000009259994
ZINC09259994
ZINC9259994
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