Vitas-M small molecule compound

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

Catalog ID
STL409176
SMILES OC1=Nc2c(C(SC1)c1ccc3c(c1)cccn3)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/c25-16-11-28-18(13-3-4-15-12(10-13)2-1-7-21-15)17-19(22-16)24(23-20(17)26)14-5-8-27-9-6-14/h1-4,7,10,14,18H,5-6,8-9,11H2,(H,22,25)(H,23,26)
InChIKey
BCUOIJXXBKBRFT-UHFFFAOYSA-N
Synonyms
1574407-22-9
1(oxan4yl)4quinolin6yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574407229
7hydroxy4(quinolin6yl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C4)N=CC=C5)C(=O)N2
InChI=1SC20H20N4O3Sc2516112818(13341512(1013)2172115)1719(2216)24(2320(17)26)1458279614h147101418H568911H2(H2225)(H2326)
MFCD30705580
OC1=Nc2c(C(SC1)c1ccc3c(c1)cccn3)c(=O)(nH)n2C1CCOCC1
ZINC000096118348
ZINC000096118349

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Available files

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