Vitas-M small molecule compound

ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK758243
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cccnc1)N

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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-2-33-26(32)22-16-8-3-4-11-20(16)34-25(22)30-18-9-5-10-19(31)23(18)21(17(13-27)24(30)28)15-7-6-12-29-14-15/h6-7,12,14,21H,2-5,8-11,28H2,1H3
InChIKey
JVEVQIXOGLCMOH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4
ethyl2(2amino3cyano5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano5oxo4pyridin3yl4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H26N4O3Sc123326(32)22168341120(16)3425(22)3018951019(31)23(18)21(17(1327)24(30)28)157612291415h67121421H2581128H21H3
MFCD01414960
ZINC000000714774
ZINC000000714775

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Available files

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