Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2-oxo-1,2-dihydropyridin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL424455
SMILES OC1=Nc2c(C(SC1)c1ccc[nH]c1=O)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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-18(2)8-10(5-7-26-18)22-15-13(17(25)21-22)14(27-9-12(23)20-15)11-4-3-6-19-16(11)24/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)
InChIKey
KHKINERBVASELL-UHFFFAOYSA-N
Synonyms
1630848-96-2
1(22dimethyloxan4yl)4(2oxo1Hpyridin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2oxo12dihydropyridin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1630848962
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CNC4=O)C(=O)N2)C
InChI=1SC18H22N4O4Sc118(2)810(572618)221513(17(25)2122)14(27912(23)2015)114361916(11)24h3461014H579H212H3(H1924)(H2023)(H2125)
MFCD30709388
OC1=Nc2c(C(SC1)c1ccc(nH)c1=O)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000218277282
ZINC000218277464

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Available files

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