Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
Catalog ID
STK527696
SMILES N#Cc1c(sc2c1CCCCC2)N1C2=C(CCC2)C(C(=C1N)C#N)(C(F)(F)F)C(F)(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 C21H18F6N4S MW 472.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F6N4S/c22-20(23,24)19(21(25,26)27)13-6-4-7-15(13)31(17(30)14(19)10-29)18-12(9-28)11-5-2-1-3-8-16(11)32-18/h1-8,30H2InChIKey
IOCDKLBXNRCPIQ-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)44bis(trifluoromethyl)4567tetrahydro1Hcyclopenta(b)pyridine3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)44bis(trifluoromethyl)67dihydro5Hcyclopenta(b)pyridine3carbonitrile
C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(CCC4)C(C(=C3N)C#N)(C(F)(F)F)C(F)(F)F
InChI=1SC21H18F6N4Sc2220(2324)19(21(2526)27)1364715(13)31(17(30)14(19)1029)1812(928)115213816(11)3218h1830H2
MFCD01958665
ZINC000000721289
ZINC00721289
ZINC721289
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