Vitas-M small molecule compound

N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

Catalog ID
STK666072
SMILES COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1cc3OCOc3cc1[N+](=O)[O-])c1ccccc1n2)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 C27H22ClN5O7 MW 563.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O7/c1-13-24(26(34)30-17-10-20(37-2)15(28)9-21(17)38-3)25(32-18-7-5-4-6-16(18)31-27(32)29-13)14-8-22-23(40-12-39-22)11-19(14)33(35)36/h4-11,25H,12H2,1-3H3,(H,29,31)(H,30,34)
InChIKey
SGYNQWFJLXZJFD-UHFFFAOYSA-N
Synonyms

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)NC6=CC(=C(C=C6OC)Cl)OC
COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1cc3OCOc3cc1(N+)(=O)(O))c1ccccc1n2)OC
InChI=1SC27H22ClN5O7c11324(26(34)30171020(372)15(28)921(17)383)25(3218754616(18)3127(32)2913)1482223(40123922)1119(14)33(35)36h41125H12H213H3(H2931)(H3034)
MFCD05857236
N(4chloro25dimethoxyphenyl)2methyl4(6nitro13benzodioxol5yl)14dihydropyrimido(12a)benzimidazole3carboxamide
ZINC000001428252
ZINC000001428253

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Available files

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