Vitas-M small molecule compound
methyl 5-[(1Z)-1-cyanoprop-1-en-2-yl]-2-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK085918
SMILES N#C/C=C(\c1sc(c(c1C)C(=O)OC)/N=C/c1ccc2c(c1)c1ccccc1n2CC)/C
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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 C26H23N3O2S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O2S/c1-5-29-21-9-7-6-8-19(21)20-14-18(10-11-22(20)29)15-28-25-23(26(30)31-4)17(3)24(32-25)16(2)12-13-27/h6-12,14-15H,5H2,1-4H3/b16-12-,28-15+InChIKey
YMQODADURRWCTK-YMXHBENOSA-NSynonyms
CCN1C2=C(C=C(C=C2)C=NC3=C(C(=C(S3)C(=CC#N)C)C)C(=O)OC)C4=CC=CC=C41
InChI=1SC26H23N3O2Sc152921976819(21)201418(101122(20)29)15282523(26(30)314)17(3)24(3225)16(2)121327h6121415H5H214H3b16122815+
METHYL5((1Z)1CYANOPROP1EN2YL)2(((E)(9ETHYL9HCARBAZOL3YL)METHYLIDENE)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
methyl5((Z)1cyanoprop1en2yl)2((E)(9ethylcarbazol3yl)methylideneamino)4methylthiophene3carboxylate
MFCD01445521
N#CC=C(c1sc(c(c1C)C(=O)OC)N=Cc1ccc2c(c1)c1ccccc1n2CC)C
STK085918
ZINC000015223889
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