Vitas-M small molecule compound
4-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]carbonyl}-2-methylisoquinolin-1(2H)-one
Catalog ID
STL249343
SMILES O=C(c1cn(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 C19H23N3O4S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S/c1-20-12-17(15-4-2-3-5-16(15)18(20)23)19(24)22-9-7-21(8-10-22)14-6-11-27(25,26)13-14/h2-5,12,14H,6-11,13H2,1H3InChIKey
PQEVJNNCBONHQZ-UHFFFAOYSA-NSynonyms
1401541-17-01401541170
4((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)carbonyl)2methylisoquinolin1(2H)one
4(4(11dioxidotetrahydrothiophen3yl)piperazine1carbonyl)2methylisoquinolin1(2H)one
4(4(11dioxothiolan3yl)piperazine1carbonyl)2methylisoquinolin1one
CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC19H23N3O4Sc1201217(15423516(15)18(20)23)19(24)229721(81022)1461127(2526)1314h251214H61113H21H3
MFCD22584594
ZINC000079488290
ZINC000079488295
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