Vitas-M small molecule compound
2-methoxy-4-{(E)-[5-oxo-2-(thiophen-2-yl)-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzoate
Catalog ID
STK764297
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/N=C(OC1=O)c1cccs1
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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 C22H15NO5S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15NO5S/c1-26-18-13-14(9-10-17(18)27-21(24)15-6-3-2-4-7-15)12-16-22(25)28-20(23-16)19-8-5-11-29-19/h2-13H,1H3/b16-12+InChIKey
UGCMAXBCCZBJKR-FOWTUZBSSA-NSynonyms
(2METHOXY4((E)(5OXO2THIOPHEN2YL13OXAZOL4YLIDENE)METHYL)PHENYL)BENZOATE
2methoxy4((E)(5oxo2(thiophen2yl)13oxazol4(5H)ylidene)methyl)phenylbenzoate
COC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CS3)OC(=O)C4=CC=CC=C4
COc1cc(ccc1OC(=O)c1ccccc1)C=C1N=C(OC1=O)c1cccs1
InChI=1SC22H15NO5Sc126181314(91017(18)2721(24)156324715)121622(25)2820(2316)1985112919h213H1H3b1612+
MFCD03035015
ZINC000001067549
ZINC01067549
ZINC1067549
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