Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][5-(4-chlorophenyl)-1H-pyrazol-3-yl]methanone
Catalog ID
STL183159
SMILES Clc1ccc(cc1)c1[nH]nc(c1)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 C22H21ClN4O3 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3/c23-17-4-2-16(3-5-17)18-12-19(25-24-18)22(28)27-9-7-26(8-10-27)13-15-1-6-20-21(11-15)30-14-29-20/h1-6,11-12H,7-10,13-14H2,(H,24,25)InChIKey
XAGITWPCPVKHPM-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(3(4chlorophenyl)1Hpyrazol5yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(5(4chlorophenyl)1Hpyrazol3yl)methanone
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)c1(nH)nc(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC22H21ClN4O3c23174216(3517)181219(252418)22(28)279726(81027)1315162021(1115)30142920h161112H7101314H2(H2425)
MFCD22385697
ZINC000021216500
ZINC21216500
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