Vitas-M small molecule compound

butyl [(5E)-5-(4-{2-[(4-chlorophenyl)amino]-2-oxoethoxy}-3-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Catalog ID
STL367658
SMILES CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(c(c2)OCC)OCC(=O)Nc2ccc(cc2)Cl)/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 C26H27ClN2O7S MW 547.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O7S/c1-3-5-12-35-24(31)15-29-25(32)22(37-26(29)33)14-17-6-11-20(21(13-17)34-4-2)36-16-23(30)28-19-9-7-18(27)8-10-19/h6-11,13-14H,3-5,12,15-16H2,1-2H3,(H,28,30)/b22-14+
InChIKey
PMKGGNVOSBHNIR-HYARGMPZSA-N
Synonyms

butyl((5E)5(4(2((4chlorophenyl)amino)2oxoethoxy)3ethoxybenzylidene)24dioxo13thiazolidin3yl)acetate
butyl2((5E)5((4(2(4chloroanilino)2oxoethoxy)3ethoxyphenyl)methylidene)24dioxo13thiazolidin3yl)acetate
CCCCOC(=O)CN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)Cl)OCC)SC1=O
CCCCOC(=O)CN1C(=O)SC(=Cc2ccc(c(c2)OCC)OCC(=O)Nc2ccc(cc2)Cl)C1=O
InChI=1SC26H27ClN2O7Sc135123524(31)152925(32)22(3726(29)33)141761120(21(1317)3442)361623(30)28199718(27)81019h6111314H35121516H212H3(H2830)b2214+
MFCD28951885
ZINC000101113717
ZINC101113717

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Available files

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