Vitas-M small molecule compound
(2-methoxy-3-methylphenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK154769
SMILES COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-19-8-7-11-23(26(19)35-3)27(32)30-16-14-29(15-17-30)22-12-13-25(31(33)34)24(18-22)28-20(2)21-9-5-4-6-10-21/h4-13,18,20,28H,14-17H2,1-3H3InChIKey
VVGKONCPEHKQDP-UHFFFAOYSA-NSynonyms
593238-02-9(2METHOXY3METHYLPHENYL)(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(2METHOXY3METHYLPHENYL)(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
593238029
CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)C4=CC=CC=C4
COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O)
InChI=1SC27H30N4O4c119871123(26(19)353)27(32)30161429(151730)22121325(31(33)34)24(1822)2820(2)2195461021h413182028H1417H213H3
MFCD03685216
ZINC000009334196
ZINC000009334198
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