Vitas-M small molecule compound
methyl 2-[(3-ethoxy-1,1,1-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}-3-oxopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK761437
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)c1ccccc1F
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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)12-8-4-6-10-14(12)23)28-18-16(19(30)32-2)13-9-5-7-11-15(13)34-18/h4,6,8,10,28H,3,5,7,9,11H2,1-2H3,(H,27,29)InChIKey
NPLOXXJTKSHCPD-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC=CC=C3F
InChI=1SC22H22F4N2O5Sc133320(31)21(22(2425)262717(29)128461014(12)23)281816(19(30)322)139571115(13)3418h4681028H357911H212H3(H2729)
methyl2((3ethoxy111trifluoro2(((2fluorophenyl)carbonyl)amino)3oxopropan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro2((2fluorobenzoyl)amino)3oxopropan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01926301
ZINC000015218201
ZINC000015218203
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