Vitas-M small molecule compound

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

Catalog ID
STL374692
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccccc2OCc2ccc(cc2)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/c1-4-21-14-16-24(17-15-21)31-29-27(30(33)34-5-2)28(32)26(36-29)18-23-8-6-7-9-25(23)35-19-22-12-10-20(3)11-13-22/h6-18,31H,4-5,19H2,1-3H3/b26-18-
InChIKey
XHCJMCLSVWPNEU-ITYLOYPMSA-N
Synonyms

CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccccc2OCc2ccc(cc2)C)C1=O
ethyl(5Z)2((4ethylphenyl)amino)5(2((4methylbenzyl)oxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2(4ETHYLANILINO)5((2((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2(4ETHYLANILINO)5(2((4METHYLBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC30H29NO4Sc1421141624(171521)312927(30(33)3452)28(32)26(3629)1823867925(23)351922121020(3)111322h61831H4519H213H3b2618
MFCD02803374
ZINC000008438478
ZINC08438478
ZINC8438478

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Available files

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