Vitas-M small molecule compound
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Catalog ID
STK528732
SMILES N#Cc1c(sc2c1CCCC2)NC(C(F)(F)F)(C(=O)OC)NC(=O)c1ccc(cc1Cl)Cl
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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 C20H16Cl2F3N3O3S MW 506.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2F3N3O3S/c1-31-18(30)19(20(23,24)25,27-16(29)12-7-6-10(21)8-14(12)22)28-17-13(9-26)11-4-2-3-5-15(11)32-17/h6-8,28H,2-5H2,1H3,(H,27,29)InChIKey
XGJQRNQSQVXQGM-UHFFFAOYSA-NSynonyms
373616-21-8373616218
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H16Cl2F3N3O3Sc13118(30)19(20(2324)252716(29)127610(21)814(12)22)281713(926)11423515(11)3217h6828H25H21H3(H2729)
methyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)2((24dichlorobenzoyl)amino)333trifluoropropanoate
methyl2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)2(24dichlorobenzamido)333trifluoropropanoate
methylN(3cyano4567tetrahydro1benzothiophen2yl)2(((24dichlorophenyl)carbonyl)amino)333trifluoroalaninate
MFCD01948871
ZINC000002281712
ZINC000002281713
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