Vitas-M small molecule compound

methyl {2-ethoxy-4-[(E)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-(prop-2-en-1-yl)phenoxy}acetate

Catalog ID
STK153286
SMILES CCOc1cc(/C=C\2/SC(=O)N(C2=O)CC(=O)Nc2ccc(cc2)C)cc(c1OCC(=O)OC)CC=C

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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 C27H28N2O7S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7S/c1-5-7-19-12-18(13-21(35-6-2)25(19)36-16-24(31)34-4)14-22-26(32)29(27(33)37-22)15-23(30)28-20-10-8-17(3)9-11-20/h5,8-14H,1,6-7,15-16H2,2-4H3,(H,28,30)/b22-14+
InChIKey
MMJFLSPZWBGAQT-HYARGMPZSA-N
Synonyms
666821-00-7
666821007
CCOC1=CC(=CC(=C1OCC(=O)OC)CC=C)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)C
CCOc1cc(C=C2SC(=O)N(C2=O)CC(=O)Nc2ccc(cc2)C)cc(c1OCC(=O)OC)CC=C
InChI=1SC27H28N2O7Sc157191218(1321(3562)25(19)361624(31)344)142226(32)29(27(33)3722)1523(30)282010817(3)91120h5814H1671516H224H3(H2830)b2214+
METHYL(2ETHOXY4((E)(3(2((4METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)6(PROP2EN1YL)PHENOXY)ACETATE
METHYL2(2ETHOXY4((3((N(4METHYLPHENYL)CARBAMOYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)6PROP2ENYLPHENOXY)ACETATE
methyl2(2ethoxy4((E)(3(2(4methylanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)6prop2enylphenoxy)acetate
MFCD02611826
ZINC000012411411
ZINC12411411

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Available files

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