Vitas-M small molecule compound

(2E)-2-[(3-chlorophenyl)imino]-N~4~-(3,4-dimethylphenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine

Catalog ID
STK569874
SMILES Clc1cccc(c1)/N=c\1/nc(Nc2ccc(c(c2)C)C)c(c([nH]1)N)[N+](=O)[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 C18H17ClN6O2 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN6O2/c1-10-6-7-14(8-11(10)2)21-17-15(25(26)27)16(20)23-18(24-17)22-13-5-3-4-12(19)9-13/h3-9H,1-2H3,(H4,20,21,22,23,24)
InChIKey
NMQWKXZSIPPRAA-UHFFFAOYSA-N
Synonyms
714225-93-1
(2E)2((3chlorophenyl)imino)N~4~(34dimethylphenyl)5nitro12dihydropyrimidine46diamine
(2E)2((3CHLOROPHENYL)IMINO)N4(34DIMETHYLPHENYL)5NITRO12DIHYDROPYRIMIDINE46DIAMINE
(6AMINO2((3CHLOROPHENYL)AMINO)5NITROPYRIMIDIN4YL)(34DIMETHYLPHENYL)AMINE
2N(3CHLOROPHENYL)4N(34DIMETHYLPHENYL)5NITROPYRIMIDINE246TRIAMINE
CC1=C(C=C(C=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)NC3=CC(=CC=C3)Cl)C
Clc1cccc(c1)N=c1nc(Nc2ccc(c(c2)C)C)c(c((nH)1)N)(N+)(=O)(O)
InChI=1SC18H17ClN6O2c1106714(811(10)2)211715(25(26)27)16(20)2318(2417)221353412(19)913h39H12H3(H42021222324)
MFCD05727833
N2(3CHLOROPHENYL)N4(34DIMETHYLPHENYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000009245582
ZINC09245582
ZINC9245582

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Available files

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