Vitas-M small molecule compound
methyl 2-[(2-{[(2,4-dichlorophenyl)carbonyl]amino}-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK690907
SMILES COC(=O)c1c(sc2c1CCCCC2)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 C22H21Cl2F3N2O5S MW 553.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2F3N2O5S/c1-33-19(31)16-13-6-4-3-5-7-15(13)35-18(16)29-21(20(32)34-2,22(25,26)27)28-17(30)12-9-8-11(23)10-14(12)24/h8-10,29H,3-7H2,1-2H3,(H,28,30)InChIKey
HRYGFFSTTIDLJE-UHFFFAOYSA-NSynonyms
(S)methyl2((2(24dichlorobenzamido)111trifluoro3methoxy3oxopropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
COC(=O)C1=C(SC2=C1CCCCC2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC22H21Cl2F3N2O5Sc13319(31)16136435715(13)3518(16)2921(20(32)34222(2526)27)2817(30)129811(23)1014(12)24h81029H37H212H3(H2830)
methyl2((2(((24dichlorophenyl)carbonyl)amino)111trifluoro3methoxy3oxopropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2((24dichlorobenzoyl)amino)111trifluoro3methoxy3oxopropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03295790
ZINC000002604585
ZINC000002604586
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