Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(3-hydroxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410310
SMILES Oc1cccc(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 C19H23N3O4S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S/c1-19(2)9-12(6-7-26-19)22-17-15(18(25)21-22)16(27-10-14(24)20-17)11-4-3-5-13(23)8-11/h3-5,8,12,16,23H,6-7,9-10H2,1-2H3,(H,20,24)(H,21,25)InChIKey
NFVMPOCZCMJELM-UHFFFAOYSA-NSynonyms
1574516-06-51(22dimethyloxan4yl)4(3hydroxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3hydroxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574516065
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)O)C(=O)N2)C
InChI=1SC19H23N3O4Sc119(2)912(672619)221715(18(25)2122)16(271014(24)2017)1143513(23)811h358121623H67910H212H3(H2024)(H2125)
MFCD30706142
Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
ZINC000096230700
ZINC000096230703
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