Vitas-M small molecule compound
{4-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STL379964
SMILES COc1cc(ccc1OCC(=O)O)/C=C\1/SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
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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 C21H16ClNO8S MW 477.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO8S/c1-28-15-4-11(2-3-14(15)29-9-19(24)25)5-18-20(26)23(21(27)32-18)8-12-6-16-17(7-13(12)22)31-10-30-16/h2-7H,8-10H2,1H3,(H,24,25)/b18-5+InChIKey
OFHQPYXTSSKNGC-BLLMUTORSA-NSynonyms
(4((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)aceticacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC4=C(C=C3Cl)OCO4)OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
InChI=1SC21H16ClNO8Sc12815411(2314(15)29919(24)25)51820(26)23(21(27)3218)81261617(713(12)22)31103016h27H810H21H3(H2425)b185+
MFCD07546765
ZINC000009235297
ZINC9235297
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