Vitas-M small molecule compound
4-{(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl 4-tert-butylbenzoate
Catalog ID
STK092589
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C\1/N=C(OC1=O)c1ccc(cc1)Cl
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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 C29H26ClNO5 MW 503.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClNO5/c1-5-34-25-17-18(16-23-28(33)36-26(31-23)19-9-13-22(30)14-10-19)6-15-24(25)35-27(32)20-7-11-21(12-8-20)29(2,3)4/h6-17H,5H2,1-4H3/b23-16+InChIKey
YOSFDYHCVHFFHF-XQNSMLJCSA-NSynonyms
(4((E)(2(4CHLOROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2ETHOXYPHENYL)4TERTBUTYLBENZOATE
4((E)(2(4CHLOROPHENYL)5OXO13OXAZOL4(5H)YLIDENE)METHYL)2ETHOXYPHENYL4TERTBUTYLBENZOATE
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)C(C)(C)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C=C1N=C(OC1=O)c1ccc(cc1)Cl
InChI=1SC29H26ClNO5c1534251718(162328(33)3626(3123)1991322(30)141019)61524(25)3527(32)2071121(12820)29(23)4h617H5H214H3b2316+
MFCD07546222
STK092589
ZINC000013894988
ZINC13894988
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