Vitas-M small molecule compound
ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-{[(2E)-3-phenylprop-2-enoyl]amino}benzoate
Catalog ID
STL087625
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccccc1)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 C29H29N3O4 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4/c1-2-36-29(35)24-14-15-26(25(21-24)30-27(33)16-13-22-9-5-3-6-10-22)31-17-19-32(20-18-31)28(34)23-11-7-4-8-12-23/h3-16,21H,2,17-20H2,1H3,(H,30,33)/b16-13+InChIKey
HTDVLHXBWQKDSA-DTQAZKPQSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C=CC4=CC=CC=C4
CCOC(=O)c1ccc(c(c1)NC(=O)C=Cc1ccccc1)N1CCN(CC1)C(=O)c1ccccc1
ethyl4(4(phenylcarbonyl)piperazin1yl)3(((2E)3phenylprop2enoyl)amino)benzoate
ethyl4(4benzoylpiperazin1yl)3(((E)3phenylprop2enoyl)amino)benzoate
InChI=1SC29H29N3O4c123629(35)24141526(25(2124)3027(33)16132295361022)31171932(201831)28(34)23117481223h31621H21720H21H3(H3033)b1613+
MFCD07174586
ZINC000016687770
ZINC16687770
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