Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](1-benzothiophen-3-yl)methanone
Catalog ID
STK317589
SMILES O=C(c1csc2c1cccc2)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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c24-21(17-13-27-20-4-2-1-3-16(17)20)23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11,13H,7-10,12,14H2InChIKey
KLJQKAYZTOJXRW-UHFFFAOYSA-NSynonyms
515860-82-9(4(13benzodioxol5ylmethyl)piperazin1yl)(1benzothiophen3yl)methanone
515860829
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC5=CC=CC=C54
InChI=1SC21H20N2O3Sc2421(17132720421316(17)20)239722(81023)1215561819(1115)26142518h161113H7101214H2
MFCD03073686
ZINC000020038394
ZINC20038394
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