Vitas-M small molecule compound
(2-methoxy-3-methylphenyl)(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK206116
SMILES COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[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 C25H27N5O4 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4/c1-18-5-3-7-21(24(18)34-2)25(31)29-13-11-28(12-14-29)20-8-9-23(30(32)33)22(15-20)27-17-19-6-4-10-26-16-19/h3-10,15-16,27H,11-14,17H2,1-2H3InChIKey
CULDTMNWKNZSMB-UHFFFAOYSA-NSynonyms
(2METHOXY3METHYLPHENYL)(4(4NITRO3((PYRIDIN3YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(2methoxy3methylphenyl)(4(4nitro3(pyridin3ylmethylamino)phenyl)piperazin1yl)methanone
CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CN=CC=C4
COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)(N+)(=O)(O)
InChI=1SC25H27N5O4c11853721(24(18)342)25(31)29131128(121429)208923(30(32)33)22(1520)2717196410261619h310151627H111417H212H3
MFCD06666801
ZINC000009971927
ZINC09971927
ZINC9971927
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