Vitas-M small molecule compound
(2E)-4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK400419
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/C(=O)O
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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 C15H16N2O3S MW 304.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S/c1-2-9-3-4-10-11(8-16)15(21-12(10)7-9)17-13(18)5-6-14(19)20/h5-6,9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/b6-5+InChIKey
KBEMPPDUIDFFHB-AATRIKPKSA-NSynonyms
540790-38-3(2E)4((3cyano6ethyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3cyano6ethyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
540790383
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC(=O)O
CCC1CCc2c(C1)sc(c2C#N)NC(=O)C=CC(=O)O
InChI=1SC15H16N2O3Sc129341011(816)15(2112(10)79)1713(18)5614(19)20h569H247H21H3(H1718)(H1920)b65+
MFCD01920325
ZINC000002745306
ZINC000002745307
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