Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410408
SMILES COc1ccc(cc1O)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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-20(2)9-12(6-7-28-20)23-18-16(19(26)22-23)17(29-10-15(25)21-18)11-4-5-14(27-3)13(24)8-11/h4-5,8,12,17,24H,6-7,9-10H2,1-3H3,(H,21,25)(H,22,26)InChIKey
CLHUUXOTLYYHHH-UHFFFAOYSA-NSynonyms
1574303-40-41(22dimethyloxan4yl)4(3hydroxy4methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3hydroxy4methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574303404
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)OC)O)C(=O)N2)C
COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC20H25N3O5Sc120(2)912(672820)231816(19(26)2223)17(291015(25)2118)114514(273)13(24)811h458121724H67910H213H3(H2125)(H2226)
MFCD30706191
ZINC000096232201
ZINC000096232204
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