Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411321
SMILES CSc1ccc(cc1)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 C20H25N3O3S2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S2/c1-20(2)10-13(8-9-26-20)23-18-16(19(25)22-23)17(28-11-15(24)21-18)12-4-6-14(27-3)7-5-12/h4-7,13,17H,8-11H2,1-3H3,(H,21,24)(H,22,25)InChIKey
KUEFRHXQSJFVMK-UHFFFAOYSA-NSynonyms
1574466-31-11(22dimethyloxan4yl)4(4methylsulfanylphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(4(methylsulfanyl)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574466311
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)SC)C(=O)N2)C
CSc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC20H25N3O3S2c120(2)1013(892620)231816(19(25)2223)17(281115(24)2118)124614(273)7512h471317H811H213H3(H2124)(H2225)
MFCD30706654
ZINC000096116826
ZINC000096116829
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