Vitas-M small molecule compound
methyl 2-[(3-ethoxy-1,1,1-trifluoro-2-{[(3-fluorophenyl)carbonyl]amino}-3-oxopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK762659
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)c1cccc(c1)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 C22H22F4N2O5S MW 502.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29)InChIKey
XVMOCOGQXSSCMM-UHFFFAOYSA-NSynonyms
309731-54-2309731542
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC(=CC=C3)F
InChI=1SC22H22F4N2O5Sc133320(31)21(22(2425)262717(29)1276813(23)1112)281816(19(30)322)149451015(14)3418h681128H35910H212H3(H2729)
methyl2((3ethoxy111trifluoro2(((3fluorophenyl)carbonyl)amino)3oxopropan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro2((3fluorobenzoyl)amino)3oxopropan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01872455
ZINC000002050108
ZINC000002050109
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