Vitas-M small molecule compound
4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
Catalog ID
STK528897
SMILES N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)Nc2ccc(nn2)OC)C2=C(C1(C(F)(F)F)C(F)(F)F)CCC2
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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 C22H18F6N6O3S MW 560.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F6N6O3S/c1-37-18-10-9-17(31-32-18)33-38(35,36)13-7-5-12(6-8-13)34-16-4-2-3-14(16)20(21(23,24)25,22(26,27)28)15(11-29)19(34)30/h5-10H,2-4,30H2,1H3,(H,31,33)InChIKey
QWDMRUKXAXFGML-UHFFFAOYSA-NSynonyms
4(2amino3cyano44bis(trifluoromethyl)4567tetrahydro1Hcyclopenta(b)pyridin1yl)N(6methoxypyridazin3yl)benzenesulfonamide
4(2AMINO3CYANO44BIS(TRIFLUOROMETHYL)67DIHYDRO5HCYCLOPENTA(B)PYRIDIN1YL)N(6METHOXYPYRIDAZIN3YL)BENZENESULFONAMIDE
COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C4=C(CCC4)C(C(=C3N)C#N)(C(F)(F)F)C(F)(F)F
InChI=1SC22H18F6N6O3Sc1371810917(313218)3338(3536)137512(6813)341642314(16)20(21(2324)2522(2627)28)15(1129)19(34)30h510H2430H21H3(H3133)
MFCD01943535
ZINC000001076302
ZINC01076302
ZINC1076302
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