Vitas-M small molecule compound

7-hydroxy-1-(propan-2-yl)-4-(2,3,4-trifluorophenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL316151
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1F)F)F)c(=O)[nH]n2C(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 C15H14F3N3O2S MW 357.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14F3N3O2S/c1-6(2)21-14-10(15(23)20-21)13(24-5-9(22)19-14)7-3-4-8(16)12(18)11(7)17/h3-4,6,13H,5H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
DPJJCPHSOLHEAQ-UHFFFAOYSA-N
Synonyms
1436001-44-3
1436001443
1propan2yl4(234trifluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy1(propan2yl)4(234trifluorophenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=C(C(=C(C=C3)F)F)F)C(=O)N1
InChI=1SC15H14F3N3O2Sc16(2)211410(15(23)2021)13(2459(22)1914)7348(16)12(18)11(7)17h34613H5H212H3(H1922)(H2023)
MFCD28027651
OC1=Nc2c(C(SC1)c1ccc(c(c1F)F)F)c(=O)(nH)n2C(C)C
ZINC000095477560
ZINC000095477561

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Available files

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