Vitas-M small molecule compound

ethyl (5Z)-2-[(4-ethylphenyl)amino]-5-{4-[(3-methylbenzyl)oxy]benzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK002245
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccc(cc2)OCc2cccc(c2)C)/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 C30H29NO4S MW 499.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO4S/c1-4-21-9-13-24(14-10-21)31-29-27(30(33)34-5-2)28(32)26(36-29)18-22-11-15-25(16-12-22)35-19-23-8-6-7-20(3)17-23/h6-18,31H,4-5,19H2,1-3H3/b26-18-
InChIKey
WBLDOCLNIZFMFF-ITYLOYPMSA-N
Synonyms

CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccc(cc2)OCc2cccc(c2)C)C1=O
ETHYL(5Z)2((4ETHYLPHENYL)AMINO)5(4((3METHYLBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4ETHYLANILINO)5((4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2(4ETHYLANILINO)5(4((3METHYLBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC30H29NO4Sc142191324(141021)312927(30(33)3452)28(32)26(3629)1822111525(161222)35192386720(3)1723h61831H4519H213H3b2618
MFCD02800419
STK002245
ZINC000008438476
ZINC08438476
ZINC8438476

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Available files

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