Vitas-M small molecule compound

6-[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]-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

Catalog ID
STL409351
SMILES OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CCC4)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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-25(2)12-16(8-10-33-25)29-22-19(23(31)27-29)21(34-13-18(30)26-22)17-11-15-6-3-5-14-7-4-9-28(20(14)15)24(17)32/h3,5-6,11,16,21H,4,7-10,12-13H2,1-2H3,(H,26,30)(H,27,31)
InChIKey
XFIFQKKRRLBTIN-UHFFFAOYSA-N
Synonyms
1574303-81-3
1574303813
6(1(22dimethyltetrahydro2Hpyran4yl)7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)23dihydro1H5Hpyrido(321ij)quinolin5one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=C6C(=CC=C5)CCCN6C4=O)C(=O)N2)C
InChI=1SC25H28N4O4Sc125(2)1216(8103325)292219(23(31)2729)21(341318(30)2622)1711156351474928(20(14)15)24(17)32h356111621H47101213H212H3(H2630)(H2731)
MFCD30705670
OC1=Nc2c(C(SC1)c1cc3cccc4c3n(c1=O)CCC4)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096231840
ZINC000096231843

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Available files

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