Vitas-M small molecule compound

ethyl (5Z)-5-[4-(2-ethoxy-2-oxoethoxy)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK089489
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(cc2)OCC(=O)OCC)/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 C25H25NO7S MW 483.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO7S/c1-4-31-21(27)15-33-19-10-6-16(7-11-19)14-20-23(28)22(25(29)32-5-2)24(34-20)26-17-8-12-18(30-3)13-9-17/h6-14,26H,4-5,15H2,1-3H3/b20-14-
InChIKey
DUMBUYULPYNHMP-ZHZULCJRSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(cc2)OCC(=O)OCC)C1=O
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)OC)C(=O)OCC
ETHYL(5Z)5((4(2ETHOXY2OXOETHOXY)PHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4(2ETHOXY2OXOETHOXY)BENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC25H25NO7Sc143121(27)15331910616(71119)142023(28)22(25(29)3252)24(3420)261781218(303)13917h61426H4515H213H3b2014
MFCD02787411
STK089489
ZINC000009295788
ZINC09295788
ZINC9295788

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Available files

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