Vitas-M small molecule compound

(2Z)-2-[(4-chlorophenyl)imino]-N~6~-(2,5-dimethoxyphenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine

Catalog ID
STK570668
SMILES COc1ccc(cc1Nc1[nH]/c(=N/c2ccc(cc2)Cl)/nc(c1[N+](=O)[O-])N)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 C18H17ClN6O4 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN6O4/c1-28-12-7-8-14(29-2)13(9-12)22-17-15(25(26)27)16(20)23-18(24-17)21-11-5-3-10(19)4-6-11/h3-9H,1-2H3,(H4,20,21,22,23,24)
InChIKey
HGEUDSDSZIUKIR-UHFFFAOYSA-N
Synonyms
714289-55-1
(2Z)2((4chlorophenyl)imino)N~6~(25dimethoxyphenyl)5nitro12dihydropyrimidine46diamine
(2Z)2((4CHLOROPHENYL)IMINO)N6(25DIMETHOXYPHENYL)5NITRO12DIHYDROPYRIMIDINE46DIAMINE
(6AMINO2((4CHLOROPHENYL)AMINO)5NITROPYRIMIDIN4YL)(25DIMETHOXYPHENYL)AMINE
2N(4CHLOROPHENYL)4N(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2(N+)(=O)(O))N)NC3=CC=C(C=C3)Cl
COc1ccc(cc1Nc1(nH)c(=Nc2ccc(cc2)Cl)nc(c1(N+)(=O)(O))N)OC
InChI=1SC18H17ClN6O4c128127814(292)13(912)221715(25(26)27)16(20)2318(2417)21115310(19)4611h39H12H3(H42021222324)
MFCD05730095
N2(4CHLOROPHENYL)N4(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000009397394
ZINC09397394
ZINC9397394

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Available files

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