Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
Catalog ID
STL386944
SMILES N#Cc1c(NC(=O)CCn2c(=O)cc(c3c2nn(c3C)C)C(F)F)sc2c1CCCC2
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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 C21H21F2N5O2S MW 445.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N5O2S/c1-11-18-13(19(22)23)9-17(30)28(20(18)26-27(11)2)8-7-16(29)25-21-14(10-24)12-5-3-4-6-15(12)31-21/h9,19H,3-8H2,1-2H3,(H,25,29)InChIKey
HRHLMWWDPCXKQG-UHFFFAOYSA-NSynonyms
1174833-99-81174833998
CC1=C2C(=CC(=O)N(C2=NN1C)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C(F)F
InChI=1SC21H21F2N5O2Sc1111813(19(22)23)917(30)28(20(18)2627(11)2)8716(29)252114(1024)12534615(12)3121h919H38H212H3(H2529)
MFCD12025527
N(3cyano4567tetrahydro1benzothiophen2yl)3(4(difluoromethyl)23dimethyl6oxo26dihydro7Hpyrazolo(34b)pyridin7yl)propanamide
N(3cyano4567tetrahydro1benzothiophen2yl)3(4(difluoromethyl)23dimethyl6oxopyrazolo(34b)pyridin7yl)propanamide
ZINC000036621421
ZINC36621421
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