Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410994
SMILES OC1=Nc2c(C(SC1)c1ccccc1F)c(=O)[nH]n2C1CCOC(C1)(C)C
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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 C19H22FN3O3S MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22FN3O3S/c1-19(2)9-11(7-8-26-19)23-17-15(18(25)22-23)16(27-10-14(24)21-17)12-5-3-4-6-13(12)20/h3-6,11,16H,7-10H2,1-2H3,(H,21,24)(H,22,25)InChIKey
IEVNHGLIIHHBHO-UHFFFAOYSA-NSynonyms
1574318-91-41(22dimethyloxan4yl)4(2fluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)4(2fluorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574318914
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4F)C(=O)N2)C
InChI=1SC19H22FN3O3Sc119(2)911(782619)231715(18(25)2223)16(271014(24)2117)12534613(12)20h361116H710H212H3(H2124)(H2225)
MFCD30706484
OC1=Nc2c(C(SC1)c1ccccc1F)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117615
ZINC000096117618
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