Vitas-M small molecule compound

7-hydroxy-4-(quinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL410030
SMILES OC1=Nc2c(C(SC1)c1cccc3c1nccc3)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c25-15-11-28-18(14-5-1-3-12-4-2-8-21-17(12)14)16-19(22-15)24(23-20(16)26)13-6-9-27-10-7-13/h1-5,8,13,18H,6-7,9-11H2,(H,22,25)(H,23,26)
InChIKey
KRJKOHPAFMCYNZ-UHFFFAOYSA-N
Synonyms
1574377-54-0
1(oxan4yl)4quinolin8yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574377540
7hydroxy4(quinolin8yl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC=CC5=C4N=CC=C5)C(=O)N2
InChI=1SC20H20N4O3Sc2515112818(14513124282117(12)14)1619(2215)24(2320(16)26)13692710713h1581318H67911H2(H2225)(H2326)
MFCD30706002
OC1=Nc2c(C(SC1)c1cccc3c1nccc3)c(=O)(nH)n2C1CCOCC1
ZINC000096117503
ZINC000096117504

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Available files

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