Vitas-M small molecule compound

2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl 2-methylquinoline-4-carboxylate

Catalog ID
STK087820
SMILES N#Cc1c(NC(=O)COC(=O)c2cc(C)nc3c2cccc3)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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-13-10-16(14-6-2-4-8-18(14)24-13)22(27)28-12-20(26)25-21-17(11-23)15-7-3-5-9-19(15)29-21/h2,4,6,8,10H,3,5,7,9,12H2,1H3,(H,25,26)
InChIKey
YGHWIYWMVANLBP-UHFFFAOYSA-N
Synonyms
352024-74-9
(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)2methylquinoline4carboxylate
2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl2methylquinoline4carboxylate
352024749
CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC22H19N3O3Sc1131016(14624818(14)2413)22(27)281220(26)252117(1123)15735919(15)2921h246810H357912H21H3(H2526)
MFCD01961525
N#Cc1c(NC(=O)COC(=O)c2cc(C)nc3c2cccc3)sc2c1CCCC2
STK087820
ZINC000000781748
ZINC00781748
ZINC781748

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Available files

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