Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorobenzyl)sulfanyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK035548
SMILES Clc1ccc(cc1)CSC1N(Cc2ccc3c(c2)OCO3)C(=O)C2=C1CCCC2
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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 C23H22ClNO3S MW 427.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO3S/c24-17-8-5-15(6-9-17)13-29-23-19-4-2-1-3-18(19)22(26)25(23)12-16-7-10-20-21(11-16)28-14-27-20/h5-11,23H,1-4,12-14H2InChIKey
MIZWLDROEUIRBC-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethyl)3((4chlorobenzyl)sulfanyl)234567hexahydro1Hisoindol1one
2(13benzodioxol5ylmethyl)3((4chlorophenyl)methylsulfanyl)4567tetrahydro3Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC4=C(C=C3)OCO4)SCC5=CC=C(C=C5)Cl
Clc1ccc(cc1)CSC1N(Cc2ccc3c(c2)OCO3)C(=O)C2=C1CCCC2
InChI=1SC23H22ClNO3Sc24178515(6917)13292319421318(19)22(26)25(23)12167102021(1116)28142720h51123H141214H2
MFCD11850993
STK035548
ZINC000009246280
ZINC000009246281
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