Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2,3,4-trifluorophenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409468
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1F)F)F)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 C19H20F3N3O3S MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N3O3S/c1-19(2)7-9(5-6-28-19)25-17-13(18(27)24-25)16(29-8-12(26)23-17)10-3-4-11(20)15(22)14(10)21/h3-4,9,16H,5-8H2,1-2H3,(H,23,26)(H,24,27)InChIKey
CFSIYHGGBLPFTN-UHFFFAOYSA-NSynonyms
1574474-76-21(22dimethyloxan4yl)4(234trifluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(234trifluorophenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574474762
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=C(C(=C(C=C4)F)F)F)C(=O)N2)C
InChI=1SC19H20F3N3O3Sc119(2)79(562819)251713(18(27)2425)16(29812(26)2317)103411(20)15(22)14(10)21h34916H58H212H3(H2326)(H2427)
MFCD30705728
OC1=Nc2c(C(SC1)c1ccc(c(c1F)F)F)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096118398
ZINC000096118401
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