Vitas-M small molecule compound
4-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK152498
SMILES C#CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)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 C22H16ClNO6S MW 457.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClNO6S/c1-3-8-24-20(25)18(31-22(24)28)11-14-9-16(23)19(17(10-14)29-2)30-12-13-4-6-15(7-5-13)21(26)27/h1,4-7,9-11H,8,12H2,2H3,(H,26,27)/b18-11+InChIKey
OBGCHACQHSQBLN-WOJGMQOQSA-NSynonyms
4((2CHLORO4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
4((2CHLORO4((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
C#CCN1C(=O)SC(=Cc2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)C(=O)O)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC22H16ClNO6Sc1382420(25)18(3122(24)28)1114916(23)19(17(1014)292)3012134615(7513)21(26)27h147911H812H22H3(H2627)b1811+
MFCD03705185
ZINC000002953586
ZINC2953586
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