Vitas-M small molecule compound
methyl 6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3-[(trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK688240
SMILES COC(=O)c1sc2c(c1NC(=O)C(F)(F)F)ccc(c2)SCC(=O)Nc1ccc(cc1)C
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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 C21H17F3N2O4S2 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O4S2/c1-11-3-5-12(6-4-11)25-16(27)10-31-13-7-8-14-15(9-13)32-18(19(28)30-2)17(14)26-20(29)21(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)(H,26,29)InChIKey
UDFLPANCBVPDAW-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C(F)(F)F
InChI=1SC21H17F3N2O4S2c1113512(6411)2516(27)103113781415(913)3218(19(28)302)17(14)2620(29)21(2223)24h39H10H212H3(H2527)(H2629)
methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)3((trifluoroacetyl)amino)1benzothiophene2carboxylate
METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL3((222TRIFLUOROACETYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD07657130
ZINC000012461621
ZINC12461621
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