Vitas-M small molecule compound
3-[(2-chloro-6-ethoxy-4-{(E)-[3-(2-methoxyethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK125094
SMILES COCCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCc2cccc(c2)C(=O)O)/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 C23H22ClNO7S MW 491.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO7S/c1-3-31-18-11-15(12-19-21(26)25(7-8-30-2)23(29)33-19)10-17(24)20(18)32-13-14-5-4-6-16(9-14)22(27)28/h4-6,9-12H,3,7-8,13H2,1-2H3,(H,27,28)/b19-12+InChIKey
TUUJBYKBTZSVHA-XDHOZWIPSA-NSynonyms
3((2CHLORO6ETHOXY4((E)(3(2METHOXYETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC)Cl)OCC3=CC=CC(=C3)C(=O)O
COCCN1C(=O)SC(=Cc2cc(Cl)c(c(c2)OCC)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC23H22ClNO7Sc1331181115(121921(26)25(78302)23(29)3319)1017(24)20(18)32131454616(914)22(27)28h46912H37813H212H3(H2728)b1912+
MFCD04128807
ZINC000009323721
ZINC9323721
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