Vitas-M small molecule compound

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

Catalog ID
STK949075
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)Br)/C#N)sc2c1CCCC2

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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 C19H17BrN2O4S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4S/c1-2-25-19(24)16-13-5-3-4-6-14(13)27-18(16)22-17(23)11(10-21)9-12-7-8-15(20)26-12/h7-9H,2-6H2,1H3,(H,22,23)/b11-9+
InChIKey
NTDNCCASRBWDDV-PKNBQFBNSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)Br)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)Br)C#N)sc2c1CCCC2
ethyl2(((2E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H17BrN2O4Sc122519(24)1613534614(13)2718(16)2217(23)11(1021)9127815(20)2612h79H26H21H3(H2223)b119+
MFCD03620591
ZINC000001452898
ZINC01452898
ZINC1452898

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Available files

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