Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-{[(4-nitrophenyl)carbonyl]amino}benzoate
Catalog ID
STK195136
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
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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 C26H26N4O5 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5/c1-35-26(32)21-9-12-24(29-15-13-28(14-16-29)18-19-5-3-2-4-6-19)23(17-21)27-25(31)20-7-10-22(11-8-20)30(33)34/h2-12,17H,13-16,18H2,1H3,(H,27,31)InChIKey
KLBLBYJVEAKAQW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)Cc1ccccc1
InChI=1SC26H26N4O5c13526(32)2191224(29151328(141629)18195324619)23(1721)2725(31)2071022(11820)30(33)34h21217H131618H21H3(H2731)
METHYL4(4BENZYLPIPERAZIN1YL)3(((4NITROPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((4nitrobenzoyl)amino)benzoate
MFCD06665600
ZINC000057222664
ZINC57222664
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