Vitas-M small molecule compound
N~4~-benzyl-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Catalog ID
STK878822
SMILES COc1ccc(cc1)Nc1nc(NCc2ccccc2)c(c(n1)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 C18H18N6O3 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O3/c1-27-14-9-7-13(8-10-14)21-18-22-16(19)15(24(25)26)17(23-18)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H4,19,20,21,22,23)InChIKey
TVKQCJOSXUESNX-UHFFFAOYSA-NSynonyms
674814-67-6(4AMINO6(BENZYLAMINO)5NITROPYRIMIDIN2YL)(4METHOXYPHENYL)AMINE
(6AMINO2((4METHOXYPHENYL)AMINO)5NITROPYRIMIDIN4YL)BENZYLAMINE
4NBENZYL2N(4METHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
674814676
COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)(N+)(=O)(O))N
COc1ccc(cc1)Nc1nc(NCc2ccccc2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC18H18N6O3c127149713(81014)21182216(19)15(24(25)26)17(2318)2011125324612h210H11H21H3(H41920212223)
MFCD00509766
N~4~benzylN~2~(4methoxyphenyl)5nitropyrimidine246triamine
N2(4METHOXYPHENYL)5NITRON4(PHENYLMETHYL)PYRIMIDINE246TRIAMINE
N4BENZYLN2(4METHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
NBENZYLN(4METHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000005176165
ZINC05176165
ZINC5176165
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