Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-methyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
Catalog ID
STL401360
SMILES N#Cc1c(NC(=O)CCn2c(=O)cc(c3c2nn(c3)C)C(F)(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 C20H18F3N5O2S MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N5O2S/c1-27-10-13-14(20(21,22)23)8-17(30)28(18(13)26-27)7-6-16(29)25-19-12(9-24)11-4-2-3-5-15(11)31-19/h8,10H,2-7H2,1H3,(H,25,29)InChIKey
VBRKVRINBDDLPE-UHFFFAOYSA-NSynonyms
1174831-44-71174831447
CN1C=C2C(=CC(=O)N(C2=N1)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C(F)(F)F
InChI=1SC20H18F3N5O2Sc127101314(20(2122)23)817(30)28(18(13)2627)7616(29)251912(924)11423515(11)3119h810H27H21H3(H2529)
MFCD12025666
N(3cyano4567tetrahydro1benzothiophen2yl)3(2methyl6oxo4(trifluoromethyl)26dihydro7Hpyrazolo(34b)pyridin7yl)propanamide
N(3cyano4567tetrahydro1benzothiophen2yl)3(2methyl6oxo4(trifluoromethyl)pyrazolo(34b)pyridin7yl)propanamide
ZINC000036621571
ZINC36621571
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