Vitas-M small molecule compound

ethyl (5Z)-5-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL378286
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(I)c(c(c2)OCC)OCc2ccccc2C#N)/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 C30H25IN2O5S MW 652.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25IN2O5S/c1-3-36-24-15-19(14-23(31)28(24)38-18-21-11-9-8-10-20(21)17-32)16-25-27(34)26(30(35)37-4-2)29(39-25)33-22-12-6-5-7-13-22/h5-16,33H,3-4,18H2,1-2H3/b25-16-
InChIKey
CZXFZBXXIBSURP-XYGWBWBKSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(c(c2)OCC)OCc2ccccc2C#N)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)I)OCC4=CC=CC=C4C#N
ETHYL(5Z)2ANILINO5((4((2CYANOPHENYL)METHOXY)3ETHOXY5IODOPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((2cyanobenzyl)oxy)3ethoxy5iodobenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC30H25IN2O5Sc1336241519(1423(31)28(24)38182111981020(21)1732)162527(34)26(30(35)3742)29(3925)3322126571322h51633H3418H212H3b2516
MFCD05039731
ZINC000150386077
ZINC150386077

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Available files

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