Vitas-M small molecule compound
methyl 3-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK188933
SMILES COC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl)N1CCN(CC1)C(=O)c1ccccc1
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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 C28H25ClN4O6 MW 548.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O6/c1-39-28(36)21-9-11-24(31-13-15-32(16-14-31)27(35)20-5-3-2-4-6-20)23(18-21)30-26(34)12-8-19-7-10-22(29)25(17-19)33(37)38/h2-12,17-18H,13-16H2,1H3,(H,30,34)/b12-8+InChIKey
VDSDSRRRTBLPRZ-XYOKQWHBSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl)N1CCN(CC1)C(=O)c1ccccc1
InChI=1SC28H25ClN4O6c13928(36)2191124(31131532(161431)27(35)205324620)23(1821)3026(34)1281971022(29)25(1719)33(37)38h2121718H1316H21H3(H3034)b128+
METHYL3(((2E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
methyl4(4benzoylpiperazin1yl)3(((E)3(4chloro3nitrophenyl)prop2enoyl)amino)benzoate
MFCD06665026
ZINC000100405037
ZINC100405037
Check stock
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