Vitas-M small molecule compound
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(phenylacetyl)amino]alaninate
Catalog ID
STK786780
SMILES N#Cc1c(sc2c1CCCC2)NC(C(F)(F)F)(C(=O)OC)NC(=O)Cc1ccccc1
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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 C21H20F3N3O3S MW 451.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O3S/c1-30-19(29)20(21(22,23)24,26-17(28)11-13-7-3-2-4-8-13)27-18-15(12-25)14-9-5-6-10-16(14)31-18/h2-4,7-8,27H,5-6,9-11H2,1H3,(H,26,28)InChIKey
UHXDRWGRMOBQEE-UHFFFAOYSA-NSynonyms
497868-39-0(S)methyl2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(2phenylacetamido)propanoate
497868390
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)CC3=CC=CC=C3
InChI=1SC21H20F3N3O3Sc13019(29)20(21(2223)242617(28)11137324813)271815(1225)149561016(14)3118h247827H56911H21H3(H2628)
methyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((2phenylacetyl)amino)propanoate
methylN(3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((phenylacetyl)amino)alaninate
MFCD03301150
ZINC000002347178
ZINC000002347179
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