Vitas-M small molecule compound
6-[7-hydroxy-3-oxo-1-(tetrahydro-2H-pyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Catalog ID
STL409482
SMILES OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CCC4)c(=O)[nH]n2C1CCOCC1
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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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c28-17-12-32-20(18-21(24-17)27(25-22(18)29)15-6-9-31-10-7-15)16-11-14-4-1-3-13-5-2-8-26(19(13)14)23(16)30/h1,3-4,11,15,20H,2,5-10,12H2,(H,24,28)(H,25,29)InChIKey
QLNXHYSPHUWSCC-UHFFFAOYSA-NSynonyms
1574464-55-31574464553
6(7hydroxy3oxo1(tetrahydro2Hpyran4yl)2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)23dihydro1H5Hpyrido(321ij)quinolin5one
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)C4C5=C(NC(=O)CS4)N(NC5=O)C6CCOCC6
InChI=1SC23H24N4O4Sc2817123220(1821(2417)27(2522(18)29)15693110715)1611144131352826(19(13)14)23(16)30h134111520H251012H2(H2428)(H2529)
MFCD30705736
OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CCC4)c(=O)(nH)n2C1CCOCC1
ZINC000096118391
ZINC000096118392
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