Vitas-M small molecule compound
2-{2-ethoxy-4-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}propanoic acid
Catalog ID
STK168094
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=c\1/sc2n(c1=O)c1c(n2)cccc1
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-27-17-10-13(8-9-16(17)28-12(2)20(25)26)11-18-19(24)23-15-7-5-4-6-14(15)22-21(23)29-18/h4-12H,3H2,1-2H3,(H,25,26)/b18-11+InChIKey
VWMBWCXLFRQHFT-WOJGMQOQSA-NSynonyms
2(2ETHOXY4((3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((E)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((E)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC21H18N2O5Sc1327171013(8916(17)2812(2)20(25)26)111819(24)2315754614(15)2221(23)2918h412H3H212H3(H2526)b1811+
MFCD03080749
ZINC000002735887
ZINC000002735889
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