Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-3-(difluoromethyl)-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole

Catalog ID
STL441672
SMILES FC(c1c2CCCCCc2nn1c1nc2c(s1)cccc2)F

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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 C16H15F2N3S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F2N3S/c17-15(18)14-10-6-2-1-3-7-11(10)20-21(14)16-19-12-8-4-5-9-13(12)22-16/h4-5,8-9,15H,1-3,6-7H2
InChIKey
OBLBBFGQGFORSM-UHFFFAOYSA-N
Synonyms

2(13benzothiazol2yl)3(difluoromethyl)245678hexahydrocyclohepta(c)pyrazole
2(3(difluoromethyl)5678tetrahydro4Hcyclohepta(c)pyrazol2yl)13benzothiazole
C1CCC2=C(N(N=C2CC1)C3=NC4=CC=CC=C4S3)C(F)F
InChI=1SC16H15F2N3Sc1715(18)14106213711(10)2021(14)161912845913(12)2216h458915H1367H2
MFCD08060354
ZINC000005274973
ZINC5274973

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Available files

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