Vitas-M small molecule compound
7-hydroxy-4-[4-(propan-2-yl)phenyl]-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407678
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)C(C)C)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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-12(2)13-3-5-14(6-4-13)18-17-19(21-16(24)11-27-18)23(22-20(17)25)15-7-9-26-10-8-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,21,24)(H,22,25)InChIKey
TZHXLELKXDXEKF-UHFFFAOYSA-NSynonyms
1574496-38-01(oxan4yl)4(4propan2ylphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574496380
7hydroxy4(4(propan2yl)phenyl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)C1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOCC4
InChI=1SC20H25N3O3Sc112(2)133514(6413)181719(2116(24)112718)23(2220(17)25)15792610815h36121518H711H212H3(H2124)(H2225)
MFCD30704861
OC1=Nc2c(C(SC1)c1ccc(cc1)C(C)C)c(=O)(nH)n2C1CCOCC1
ZINC000096117277
ZINC000096117278
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