Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-(4-methyl-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176360
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])C)/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 C18H12ClN3O5 MW 385.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5/c1-10-2-3-11(9-15(10)22(26)27)8-14-16(23)20-18(25)21(17(14)24)13-6-4-12(19)5-7-13/h2-9H,1H3,(H,20,23,25)/b14-8+InChIKey
XVPBHDOIZXGPNA-RIYZIHGNSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((4METHYL3NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(4METHYL3NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))C)C1=O
InChI=1SC18H12ClN3O5c1102311(915(10)22(26)27)81416(23)2018(25)21(17(14)24)136412(19)5713h29H1H3(H202325)b148+
MFCD01655931
ZINC000001213782
ZINC1213782
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