Vitas-M small molecule compound
ethyl (5Z)-5-[(7-ethyl-1H-indol-3-yl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL417369
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2c[nH]c3c2cccc3CC)/C1=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 C24H22N2O3S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S/c1-3-15-9-8-12-18-16(14-25-21(15)18)13-19-22(27)20(24(28)29-4-2)23(30-19)26-17-10-6-5-7-11-17/h5-14,25-26H,3-4H2,1-2H3/b19-13-InChIKey
DKPKCKYBPGDWNZ-UYRXBGFRSA-NSynonyms
CCC1=CC=CC2=C1NC=C2C=C3C(=O)C(=C(S3)NC4=CC=CC=C4)C(=O)OCC
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2c(nH)c3c2cccc3CC)C1=O
ETHYL(5Z)2ANILINO5((7ETHYL1HINDOL3YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((7ethyl1Hindol3yl)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
ETHYL2ANILINO5((7ETHYL1HINDOL3YL)METHYLENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC24H22N2O3Sc131598121816(142521(15)18)131922(27)20(24(28)2942)23(3019)2617106571117h5142526H34H212H3b1913
MFCD04089289
ZINC000020030432
ZINC20030432
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