Vitas-M small molecule compound
(2E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
Catalog ID
STL118353
SMILES Clc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c22-18-5-1-16(2-6-18)4-8-21(25)24-11-9-23(10-12-24)14-17-3-7-19-20(13-17)27-15-26-19/h1-8,13H,9-12,14-15H2/b8-4+InChIKey
PVCWWLRLTDDZIR-XBXARRHUSA-NSynonyms
(2E)1(4(13benzodioxol5ylmethyl)piperazin1yl)3(4chlorophenyl)prop2en1one
(E)1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)3(4CHLOROPHENYL)PROP2EN1ONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=C(C=C4)Cl
Clc1ccc(cc1)C=CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H21ClN2O3c22185116(2618)4821(25)2411923(101224)1417371920(1317)27152619h1813H9121415H2b84+
MFCD03254906
ZINC000020149090
ZINC20149090
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