Vitas-M small molecule compound
4-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]carbonyl}-2-(3-methylbutyl)isoquinolin-1(2H)-one
Catalog ID
STL251616
SMILES CC(CCn1cc(C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)c2c(c1=O)cccc2)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 C23H31N3O4S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S/c1-17(2)7-9-26-15-21(19-5-3-4-6-20(19)22(26)27)23(28)25-12-10-24(11-13-25)18-8-14-31(29,30)16-18/h3-6,15,17-18H,7-14,16H2,1-2H3InChIKey
FGNRURBJYPDWTC-UHFFFAOYSA-NSynonyms
1401535-79-21401535792
4((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)carbonyl)2(3methylbutyl)isoquinolin1(2H)one
4(4(11dioxidotetrahydrothiophen3yl)piperazine1carbonyl)2isopentylisoquinolin1(2H)one
4(4(11dioxothiolan3yl)piperazine1carbonyl)2(3methylbutyl)isoquinolin1one
CC(C)CCN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC23H31N3O4Sc117(2)79261521(19534620(19)22(26)27)23(28)25121024(111325)1881431(2930)1618h36151718H71416H212H3
MFCD22586364
ZINC000079502111
ZINC000079502116
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