Vitas-M small molecule compound

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

Catalog ID
STL309491
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(c(c1F)F)F)C1CCCCC1

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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 C18H18F3N3O2S MW 397.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N3O2S/c19-11-7-6-10(14(20)15(11)21)16-13-17(22-12(25)8-27-16)24(23-18(13)26)9-4-2-1-3-5-9/h6-7,9,16H,1-5,8H2,(H,22,25)(H,23,26)
InChIKey
YSCHHXWBMIBSET-UHFFFAOYSA-N
Synonyms
1435994-57-2
1435994572
1cyclohexyl4(234trifluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl7hydroxy4(234trifluorophenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=C(C(=C(C=C4)F)F)F)C(=O)N2
InChI=1SC18H18F3N3O2Sc19117610(14(20)15(11)21)161317(2212(25)82716)24(2318(13)26)9421359h67916H158H2(H2225)(H2326)
MFCD28028953
OC1=Nc2n((nH)c(=O)c2C(SC1)c1ccc(c(c1F)F)F)C1CCCCC1
ZINC000095472629
ZINC000095472630

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Available files

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