Vitas-M small molecule compound

N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Catalog ID
STK109495
SMILES COc1cc(Cl)c(cc1NC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)[N+](=O)[O-])Cl)OC

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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 C20H18Cl2N4O6 MW 481.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N4O6/c1-9-17(19(27)24-13-8-15(31-2)12(22)7-16(13)32-3)18(25-20(28)23-9)10-4-5-11(21)14(6-10)26(29)30/h4-8,18H,1-3H3,(H,24,27)(H2,23,25,28)
InChIKey
LDVXTEDIAKAOOR-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)NC3=CC(=C(C=C3OC)Cl)OC
COc1cc(Cl)c(cc1NC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))Cl)OC
InChI=1SC20H18Cl2N4O6c1917(19(27)2413815(312)12(22)716(13)323)18(2520(28)239)104511(21)14(610)26(29)30h4818H13H3(H2427)(H2232528)
MFCD04126879
N(4chloro25dimethoxyphenyl)4(4chloro3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxamide
N(4CHLORO25DIMETHOXYPHENYL)4(4CHLORO3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
ZINC000009763142
ZINC000012467422

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.