Vitas-M small molecule compound
5-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Catalog ID
STL407433
SMILES OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CC4)c(=O)[nH]n2C1CCOC(C1)(C)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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-24(2)11-15(7-9-32-24)28-21-18(22(30)26-28)20(33-12-17(29)25-21)16-10-14-5-3-4-13-6-8-27(19(13)14)23(16)31/h3-5,10,15,20H,6-9,11-12H2,1-2H3,(H,25,29)(H,26,30)InChIKey
XFGDPVBAOWKYEH-UHFFFAOYSA-NSynonyms
1574336-49-41574336494
5(1(22dimethyltetrahydro2Hpyran4yl)7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)12dihydro4Hpyrrolo(321ij)quinolin4one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=C6C(=CC=C5)CCN6C4=O)C(=O)N2)C
InChI=1SC24H26N4O4Sc124(2)1115(793224)282118(22(30)2628)20(331217(29)2521)161014534136827(19(13)14)23(16)31h35101520H691112H212H3(H2529)(H2630)
MFCD30704736
OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CC4)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117772
ZINC000096117775
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