Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
Catalog ID
STL441661
SMILES FC(c1c2CCCCCc2nn1c1nc2c(s1)cccc2)(F)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 C16H14F3N3S MW 337.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3S/c17-16(18,19)14-10-6-2-1-3-7-11(10)21-22(14)15-20-12-8-4-5-9-13(12)23-15/h4-5,8-9H,1-3,6-7H2InChIKey
KATYYFMWVNGQOJ-UHFFFAOYSA-NSynonyms
2(13benzothiazol2yl)3(trifluoromethyl)245678hexahydrocyclohepta(c)pyrazole
2(3(trifluoromethyl)5678tetrahydro4Hcyclohepta(c)pyrazol2yl)13benzothiazole
C1CCC2=C(N(N=C2CC1)C3=NC4=CC=CC=C4S3)C(F)(F)F
InChI=1SC16H14F3N3Sc1716(1819)14106213711(10)2122(14)152012845913(12)2315h4589H1367H2
MFCD08060344
ZINC000005274964
ZINC5274964
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