Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(3-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409898
SMILES COc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O
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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 C20H25N3O4S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S/c1-20(2)10-13(7-8-27-20)23-18-16(19(25)22-23)17(28-11-15(24)21-18)12-5-4-6-14(9-12)26-3/h4-6,9,13,17H,7-8,10-11H2,1-3H3,(H,21,24)(H,22,25)InChIKey
FBCOIBNKNCDRQL-UHFFFAOYSA-NSynonyms
1574471-00-31(22dimethyloxan4yl)4(3methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574471003
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OC)C(=O)N2)C
COc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC20H25N3O4Sc120(2)1013(782720)231816(19(25)2223)17(281115(24)2118)1254614(912)263h4691317H781011H213H3(H2124)(H2225)
MFCD30705937
ZINC000096117584
ZINC000096117587
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