Vitas-M small molecule compound

methyl 6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-3-[(trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate

Catalog ID
STK688236
SMILES COC(=O)c1sc2c(c1NC(=O)C(F)(F)F)ccc(c2)SCC(=O)Nc1ccc2c(c1)OCO2

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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 C21H15F3N2O6S2 MW 512.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O6S2/c1-30-19(28)18-17(26-20(29)21(22,23)24)12-4-3-11(7-15(12)34-18)33-8-16(27)25-10-2-5-13-14(6-10)32-9-31-13/h2-7H,8-9H2,1H3,(H,25,27)(H,26,29)
InChIKey
ABVKNCXIPTZTNJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(S1)C=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)C(F)(F)F
InChI=1SC21H15F3N2O6S2c13019(28)1817(2620(29)21(2223)24)124311(715(12)3418)33816(27)2510251314(610)3293113h27H89H21H3(H2527)(H2629)
methyl6((2(13benzodioxol5ylamino)2oxoethyl)sulfanyl)3((trifluoroacetyl)amino)1benzothiophene2carboxylate
METHYL6(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL3((222TRIFLUOROACETYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD07657126
ZINC000012417700
ZINC12417700

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Available files

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