Vitas-M small molecule compound
{2-[(Z)-{3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-6-methoxyphenoxy}acetic acid
Catalog ID
STL375967
SMILES COc1cccc(c1OCC(=O)O)/C=C/1\SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
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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 C22H18N2O9S MW 486.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O9S/c1-30-15-4-2-3-12(20(15)31-10-19(26)27)7-17-21(28)24(22(29)34-17)9-18(25)23-13-5-6-14-16(8-13)33-11-32-14/h2-8H,9-11H2,1H3,(H,23,25)(H,26,27)/b17-7-InChIKey
ZHLAJKOFLRIDSQ-IDUWFGFVSA-NSynonyms
(2((Z)(3(2(13benzodioxol5ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)6methoxyphenoxy)aceticacid
2(2((Z)(3(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
COC1=CC=CC(=C1OCC(=O)O)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC4=C(C=C3)OCO4
COc1cccc(c1OCC(=O)O)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC22H18N2O9Sc1301542312(20(15)311019(26)27)71721(28)24(22(29)3417)918(25)2313561416(813)33113214h28H911H21H3(H2325)(H2627)b177
MFCD04311882
ZINC000033601515
ZINC33601515
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