Vitas-M small molecule compound
5-{4-[(2-chlorophenyl)carbonyl]piperazin-1-yl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK205929
SMILES [O-][N+](=O)c1cc2c(cc1N1CCN(CC1)C(=O)c1ccccc1Cl)n(c(=O)n2C)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 C20H20ClN5O4 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O4/c1-22-15-11-17(18(26(29)30)12-16(15)23(2)20(22)28)24-7-9-25(10-8-24)19(27)13-5-3-4-6-14(13)21/h3-6,11-12H,7-10H2,1-2H3InChIKey
VWTVDMVZUYRJED-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(cc1N1CCN(CC1)C(=O)c1ccccc1Cl)n(c(=O)n2C)C
5(4((2CHLOROPHENYL)CARBONYL)PIPERAZIN1YL)13DIMETHYL6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
5(4(2CHLOROBENZOYL)1PIPERAZINYL)13DIMETHYL6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
5(4(2CHLOROBENZOYL)PIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)C(=O)C4=CC=CC=C4Cl
InChI=1SC20H20ClN5O4c122151117(18(26(29)30)1216(15)23(2)20(22)28)247925(10824)19(27)13534614(13)21h361112H710H212H3
MFCD06006103
ZINC000008667154
ZINC08667154
ZINC8667154
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