Vitas-M small molecule compound
3-[(4-{(E)-[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK177963
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/SC(=O)N(C1=O)C(C)C
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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 C22H21NO6S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6S/c1-13(2)23-20(24)19(30-22(23)27)11-14-7-8-17(18(10-14)28-3)29-12-15-5-4-6-16(9-15)21(25)26/h4-11,13H,12H2,1-3H3,(H,25,26)/b19-11+InChIKey
DXDMCQQNGMFINY-YBFXNURJSA-NSynonyms
3((4((E)(24DIOXO3(PROPAN2YL)13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(24dioxo3propan2yl13thiazolidin5ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
CC(C)N1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)SC1=O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1SC(=O)N(C1=O)C(C)C
InChI=1SC22H21NO6Sc113(2)2320(24)19(3022(23)27)11147817(18(1014)283)29121554616(915)21(25)26h41113H12H213H3(H2526)b1911+
MFCD03273008
ZINC000009260934
ZINC9260934
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