Vitas-M small molecule compound
2-amino-1-(4-methylphenyl)-6,7-dinitro-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Catalog ID
STK634601
SMILES N#Cc1c(N)n(c2c1nc1cc([N+](=O)[O-])c(cc1n2)[N+](=O)[O-])c1ccc(cc1)C
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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 C18H11N7O4 MW 389.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N7O4/c1-9-2-4-10(5-3-9)23-17(20)11(8-19)16-18(23)22-13-7-15(25(28)29)14(24(26)27)6-12(13)21-16/h2-7H,20H2,1H3InChIKey
DEQKLUNTYRCPNJ-UHFFFAOYSA-NSynonyms
300376-40-32amino1(4methylphenyl)67dinitro1Hpyrrolo(23b)quinoxaline3carbonitrile
2AMINO1(4METHYLPHENYL)67DINITROPYRROLO(32B)QUINOXALINE3CARBONITRILE
2amino67dinitro1(ptolyl)1Hpyrrolo(23b)quinoxaline3carbonitrile
300376403
CC1=CC=C(C=C1)N2C(=C(C3=NC4=CC(=C(C=C4N=C32)(N+)(=O)(O))(N+)(=O)(O))C#N)N
InChI=1SC18H11N7O4c192410(539)2317(20)11(819)1618(23)2213715(25(28)29)14(24(26)27)612(13)2116h27H20H21H3
MFCD00346175
N#Cc1c(N)n(c2c1nc1cc((N+)(=O)(O))c(cc1n2)(N+)(=O)(O))c1ccc(cc1)C
ZINC000009144884
ZINC09144884
ZINC9144884
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