Vitas-M small molecule compound
2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL079577
SMILES O=c1[nH]c(SCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nc2c1c1CCCCc1s2
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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 C24H19N3O3S2 MW 461.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O3S2/c28-20-19-14-7-1-2-10-17(14)32-21(19)26-24(25-20)31-12-11-27-22(29)15-8-3-5-13-6-4-9-16(18(13)15)23(27)30/h3-6,8-9H,1-2,7,10-12H2,(H,25,26,28)InChIKey
WLIXFYVOSKYZHQ-UHFFFAOYSA-NSynonyms
302949-21-92(2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)ethyl)benzo(de)isoquinoline13dione
302949219
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC24H19N3O3S2c282019147121017(14)3221(19)2624(2520)3112112722(29)158351364916(18(13)15)23(27)30h3689H1271012H2(H252628)
MFCD01918543
O=c1(nH)c(SCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nc2c1c1CCCCc1s2
ZINC000006142219
ZINC06142219
ZINC6142219
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