Vitas-M small molecule compound
{2-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-6-methoxyphenoxy}acetic acid
Catalog ID
STK124389
SMILES COc1cccc(c1OCC(=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/c1-28-14-4-2-3-11(19(14)29-9-18(24)25)6-17-20(26)23(21(27)32-17)8-12-5-15-16(7-13(12)22)31-10-30-15/h2-7H,8-10H2,1H3,(H,24,25)/b17-6+InChIKey
GXKIWNDJCNLGMC-UBKPWBPPSA-NSynonyms
(2((E)(3((6CHLORO13BENZODIOXOL5YL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
2(2((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)6methoxyphenoxy)aceticacid
COC1=CC=CC(=C1OCC(=O)O)C=C2C(=O)N(C(=O)S2)CC3=CC4=C(C=C3Cl)OCO4
COc1cccc(c1OCC(=O)O)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
InChI=1SC21H16ClNO8Sc1281442311(19(14)29918(24)25)61720(26)23(21(27)3217)81251516(713(12)22)31103015h27H810H21H3(H2425)b176+
MFCD05150270
ZINC000009234093
ZINC9234093
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