Vitas-M small molecule compound
methyl 4-[(1Z)-2-(1,3-benzoxazol-2-yl)-3-(3,5-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STL009809
SMILES COc1cc(OC)cc(c1)C(=O)/C(=C\c1ccc(cc1)C(=O)OC)/c1nc2c(o1)cccc2
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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 C26H21NO6 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO6/c1-30-19-13-18(14-20(15-19)31-2)24(28)21(25-27-22-6-4-5-7-23(22)33-25)12-16-8-10-17(11-9-16)26(29)32-3/h4-15H,1-3H3/b21-12+InChIKey
QNFZMVNIBKEMSX-CIAFOILYSA-NSynonyms
929860-60-6(Z)methyl4(2(benzo(d)oxazol2yl)3(35dimethoxyphenyl)3oxoprop1en1yl)benzoate
929860606
COC1=CC(=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C3=NC4=CC=CC=C4O3)OC
COc1cc(OC)cc(c1)C(=O)C(=Cc1ccc(cc1)C(=O)OC)c1nc2c(o1)cccc2
InChI=1SC26H21NO6c130191318(1420(1519)312)24(28)21(252722645723(22)3325)121681017(11916)26(29)323h415H13H3b2112+
methyl4((1Z)2(13benzoxazol2yl)3(35dimethoxyphenyl)3oxoprop1en1yl)benzoate
methyl4((Z)2(13benzoxazol2yl)3(35dimethoxyphenyl)3oxoprop1enyl)benzoate
MFCD09847100
ZINC000013655097
ZINC13655097
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