Vitas-M small molecule compound
ethyl 4-(4-benzylpiperazin-1-yl)-3-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK195317
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl)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 C29H29ClN4O5 MW 549.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O5/c1-2-39-29(36)23-10-12-26(33-16-14-32(15-17-33)20-22-6-4-3-5-7-22)25(19-23)31-28(35)13-9-21-8-11-24(30)27(18-21)34(37)38/h3-13,18-19H,2,14-17,20H2,1H3,(H,31,35)/b13-9+InChIKey
FLIRHVWZMRRHHD-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl)N1CCN(CC1)Cc1ccccc1
ETHYL4(4BENZYLPIPERAZIN1YL)3(((2E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
ethyl4(4benzylpiperazin1yl)3(((E)3(4chloro3nitrophenyl)prop2enoyl)amino)benzoate
InChI=1SC29H29ClN4O5c123929(36)23101226(33161432(151733)20226435722)25(1923)3128(35)1392181124(30)27(1821)34(37)38h3131819H2141720H21H3(H3135)b139+
MFCD06665781
ZINC000101174434
ZINC101174434
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