Vitas-M small molecule compound
(4-butoxyphenyl)(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK206118
SMILES CCCCOc1ccc(cc1)C(=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 C27H31N5O4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4/c1-2-3-17-36-24-9-6-22(7-10-24)27(33)31-15-13-30(14-16-31)23-8-11-26(32(34)35)25(18-23)29-20-21-5-4-12-28-19-21/h4-12,18-19,29H,2-3,13-17,20H2,1H3InChIKey
GPXXYOVXVJKAPL-UHFFFAOYSA-NSynonyms
(4BUTOXYPHENYL)(4(4NITRO3((PYRIDIN3YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(4butoxyphenyl)(4(4nitro3(pyridin3ylmethylamino)phenyl)piperazin1yl)methanone
CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CN=CC=C4
CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)(N+)(=O)(O)
InChI=1SC27H31N5O4c1231736249622(71024)27(33)31151330(141631)2381126(32(34)35)25(1823)2920215412281921h412181929H23131720H21H3
MFCD06666803
ZINC000009971931
ZINC09971931
ZINC9971931
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