Vitas-M small molecule compound
4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK152294
SMILES COC(=O)CN1C(=O)S/C(=C/c2ccc(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 C22H19NO8S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO8S/c1-29-17-9-14(10-18-20(25)23(22(28)32-18)11-19(24)30-2)5-8-16(17)31-12-13-3-6-15(7-4-13)21(26)27/h3-10H,11-12H2,1-2H3,(H,26,27)/b18-10+InChIKey
MCRNZTGLAKMHFM-VCHYOVAHSA-NSynonyms
4((2METHOXY4((E)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC(=O)CN1C(=O)SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC22H19NO8Sc12917914(101820(25)23(22(28)3218)1119(24)302)5816(17)3112133615(7413)21(26)27h310H1112H212H3(H2627)b1810+
MFCD03993050
ZINC000002815990
ZINC2815990
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