Vitas-M small molecule compound

ethyl (5Z)-5-[4-(diethylamino)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK065530
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)N(CC)CC)/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 C24H26N2O3S MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O3S/c1-4-26(5-2)19-14-12-17(13-15-19)16-20-22(27)21(24(28)29-6-3)23(30-20)25-18-10-8-7-9-11-18/h7-16,25H,4-6H2,1-3H3/b20-16-
InChIKey
ZLYXHBKOJQUXCL-SILNSSARSA-N
Synonyms

CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)N(CC)CC)C1=O
ETHYL(5Z)2ANILINO5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4(DIETHYLAMINO)BENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL5((4(DIETHYLAMINO)PHENYL)METHYLENE)4OXO2(PHENYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC24H26N2O3Sc1426(52)19141217(131519)162022(27)21(24(28)2963)23(3020)2518108791118h71625H46H213H3b2016
MFCD01874610
STK065530
ZINC000002942741
ZINC02942741
ZINC2942741

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.