Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-3-(difluoromethyl)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazol-3-ol
Catalog ID
STL441780
SMILES FC(C1(O)C2CCCCCC2=NN1c1nc2c(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 C16H17F2N3OS MW 337.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F2N3OS/c17-14(18)16(22)10-6-2-1-3-7-11(10)20-21(16)15-19-12-8-4-5-9-13(12)23-15/h4-5,8-10,14,22H,1-3,6-7H2InChIKey
NRVPYWNFAOVQDB-UHFFFAOYSA-NSynonyms
2(13benzothiazol2yl)3(difluoromethyl)233a45678octahydrocyclohepta(c)pyrazol3ol
2(13benzothiazol2yl)3(difluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol3ol
C1CCC2C(=NN(C2(C(F)F)O)C3=NC4=CC=CC=C4S3)CC1
InChI=1SC16H17F2N3OSc1714(18)16(22)106213711(10)2021(16)151912845913(12)2315h458101422H1367H2
MFCD08273420
ZINC000005275063
ZINC000005275066
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