Vitas-M small molecule compound
4-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]carbonyl}-2-(propan-2-yl)isoquinolin-1(2H)-one
Catalog ID
STL245165
SMILES O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CCN(CC1)C1CCS(=O)(=O)C1
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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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-15(2)24-13-19(17-5-3-4-6-18(17)21(24)26)20(25)23-10-8-22(9-11-23)16-7-12-29(27,28)14-16/h3-6,13,15-16H,7-12,14H2,1-2H3InChIKey
LWNUZMUJNIONBD-UHFFFAOYSA-NSynonyms
1374527-05-51374527055
4((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)carbonyl)2(propan2yl)isoquinolin1(2H)one
4(4(11dioxidotetrahydrothiophen3yl)piperazine1carbonyl)2isopropylisoquinolin1(2H)one
4(4(11dioxothiolan3yl)piperazine1carbonyl)2propan2ylisoquinolin1one
CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC21H27N3O4Sc115(2)241319(17534618(17)21(24)26)20(25)2310822(91123)1671229(2728)1416h36131516H71214H212H3
MFCD22202059
ZINC000072403263
ZINC000072403264
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