Vitas-M small molecule compound

(2,5-dimethylpiperazine-1,4-diyl)bis{[4-(dimethylamino)-2-methoxy-5-nitrophenyl]methanone}

Catalog ID
STK672964
SMILES COc1cc(N(C)C)c(cc1C(=O)N1CC(C)N(CC1C)C(=O)c1cc([N+](=O)[O-])c(cc1OC)N(C)C)[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 C26H34N6O8 MW 558.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N6O8/c1-15-13-30(26(34)18-10-22(32(37)38)20(28(5)6)12-24(18)40-8)16(2)14-29(15)25(33)17-9-21(31(35)36)19(27(3)4)11-23(17)39-7/h9-12,15-16H,13-14H2,1-8H3
InChIKey
VWMCNIISDXYVGL-UHFFFAOYSA-N
Synonyms

(25DIMETHYLPIPERAZINE14DIYL)BIS((4(DIMETHYLAMINO)2METHOXY5NITROPHENYL)METHANONE)
(4(4(DIMETHYLAMINO)2METHOXY5NITROBENZOYL)25DIMETHYLPIPERAZIN1YL)(4(DIMETHYLAMINO)2METHOXY5NITROPHENYL)METHANONE
CC1CN(C(CN1C(=O)C2=CC(=C(C=C2OC)N(C)C)(N+)(=O)(O))C)C(=O)C3=CC(=C(C=C3OC)N(C)C)(N+)(=O)(O)
COc1cc(N(C)C)c(cc1C(=O)N1CC(C)N(CC1C)C(=O)c1cc((N+)(=O)(O))c(cc1OC)N(C)C)(N+)(=O)(O)
InChI=1SC26H34N6O8c1151330(26(34)181022(32(37)38)20(28(5)6)1224(18)408)16(2)1429(15)25(33)17921(31(35)36)19(27(3)4)1123(17)397h9121516H1314H218H3
MFCD00827300
ZINC000100055011
ZINC000100055021

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Available files

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