Vitas-M small molecule compound
methyl 6-({2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-3-[(trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK688238
SMILES COC(=O)c1sc2c(c1NC(=O)C(F)(F)F)ccc(c2)SCC(=O)Nc1ccc(c(c1)OC)OC
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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 C22H19F3N2O6S2 MW 528.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O6S2/c1-31-14-7-4-11(8-15(14)32-2)26-17(28)10-34-12-5-6-13-16(9-12)35-19(20(29)33-3)18(13)27-21(30)22(23,24)25/h4-9H,10H2,1-3H3,(H,26,28)(H,27,30)InChIKey
HEBSDNGFYAIJEG-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C(F)(F)F)OC
InChI=1SC22H19F3N2O6S2c131147411(815(14)322)2617(28)103412561316(912)3519(20(29)333)18(13)2721(30)22(2324)25h49H10H213H3(H2628)(H2730)
methyl6((2((34dimethoxyphenyl)amino)2oxoethyl)sulfanyl)3((trifluoroacetyl)amino)1benzothiophene2carboxylate
METHYL6(2(34DIMETHOXYANILINO)2OXOETHYL)SULFANYL3((222TRIFLUOROACETYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD07657128
ZINC000098008936
ZINC98008936
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