Vitas-M small molecule compound
methyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
Catalog ID
STK675413
SMILES N#Cc1c(NC(=O)NC(C(F)(F)F)(C(=O)OC)Oc2ccc(cc2)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 C20H17F4N3O4S MW 471.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F4N3O4S/c1-30-17(28)19(20(22,23)24,31-12-8-6-11(21)7-9-12)27-18(29)26-16-14(10-25)13-4-2-3-5-15(13)32-16/h6-9H,2-5H2,1H3,(H2,26,27,29)InChIKey
YFEOYGIBLXQNPQ-UHFFFAOYSA-NSynonyms
COC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC3=CC=C(C=C3)F
InChI=1SC20H17F4N3O4Sc13017(28)19(20(2223)2431128611(21)7912)2718(29)261614(1025)13423515(13)3216h69H25H21H3(H2262729)
methyl2((3cyano4567tetrahydro1benzothiophen2yl)carbamoylamino)333trifluoro2(4fluorophenoxy)propanoate
methylN((3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)333trifluoro2(4fluorophenoxy)alaninate
MFCD01821502
ZINC000003669039
ZINC000003669040
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