Vitas-M small molecule compound

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

Catalog ID
STK949505
SMILES N#C/C(=C\c1c[nH]c2c1cccc2)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-28-22(27)19-16-7-3-5-9-18(16)29-21(19)25-20(26)13(11-23)10-14-12-24-17-8-4-2-6-15(14)17/h2,4,6,8,10,12,24H,3,5,7,9H2,1H3,(H,25,26)/b13-10+
InChIKey
JRVUQSBMFAJQGP-JLHYYAGUSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CNC4=CC=CC=C43)C#N
InChI=1SC22H19N3O3Sc12822(27)1916735918(16)2921(19)2520(26)13(1123)1014122417842615(14)17h2468101224H3579H21H3(H2526)b1310+
methyl2(((2E)2cyano3(1Hindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(1Hindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02370936
N#CC(=Cc1c(nH)c2c1cccc2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000000949274
ZINC00949274
ZINC949274

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Available files

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