Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK446891
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC(C2)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 C22H23NO5S MW 413.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S/c1-3-26-22(25)20-15-7-4-13(2)10-18(15)29-21(20)23-19(24)9-6-14-5-8-16-17(11-14)28-12-27-16/h5-6,8-9,11,13H,3-4,7,10,12H2,1-2H3,(H,23,24)/b9-6+
InChIKey
WZASKZSMJUCKBE-RMKNXTFCSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC4=C(C=C3)OCO4
CCOC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CCC(C2)C
ethyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(13benzodioxol5yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H23NO5Sc132622(25)20157413(2)1018(15)2921(20)2319(24)9614581617(1114)28122716h56891113H3471012H212H3(H2324)b96+
MFCD01340959
ZINC000005474050
ZINC000005474053

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Available files

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