Vitas-M small molecule compound
2-{1-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STL246643
SMILES CC(C(N1Cc2c(C1=O)cccc2)C(=O)N1CCN(CC1)C1CCS(=O)(=O)C1)C
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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 C21H29N3O4S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S/c1-15(2)19(24-13-16-5-3-4-6-18(16)20(24)25)21(26)23-10-8-22(9-11-23)17-7-12-29(27,28)14-17/h3-6,15,17,19H,7-14H2,1-2H3InChIKey
LJTVZXFLFGPNHQ-UHFFFAOYSA-NSynonyms
2((2S)1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)3methyl1oxobutan2yl)isoindolin1one
2(1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)3methyl1oxobutan2yl)23dihydro1Hisoindol1one
2(1(4(11dioxothiolan3yl)piperazin1yl)3methyl1oxobutan2yl)3Hisoindol1one
CC((C@H)(N1Cc2c(C1=O)cccc2)C(=O)N1CCN(CC1)C1CCS(=O)(=O)C1)C
CC(C)C(C(=O)N1CCN(CC1)C2CCS(=O)(=O)C2)N3CC4=CC=CC=C4C3=O
InChI=1SC21H29N3O4Sc115(2)19(241316534618(16)20(24)25)21(26)2310822(91123)1771229(2728)1417h36151719H714H212H3
MFCD24860616
ZINC000072405400
ZINC000080330472
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