Vitas-M small molecule compound
methyl (2Z)-2-[4-(3-methylbutoxy)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819765
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(cc1)OCCC(C)C)/O2
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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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-14(2)10-11-26-17-7-4-15(5-8-17)12-20-21(23)18-13-16(22(24)25-3)6-9-19(18)27-20/h4-9,12-14H,10-11H2,1-3H3/b20-12-InChIKey
HRGWIQOFWJGDFP-NDENLUEZSA-NSynonyms
868145-02-2868145022
CC(C)CCOC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccc(cc1)OCCC(C)C)O2
InChI=1SC22H22O5c114(2)101126177415(5817)122021(23)181316(22(24)253)6919(18)2720h491214H1011H213H3b2012
METHYL(2Z)2((4(3METHYLBUTOXY)PHENYL)METHYLIDENE)3OXO1BENZOFURAN5CARBOXYLATE
methyl(2Z)2(4(3methylbutoxy)benzylidene)3oxo23dihydro1benzofuran5carboxylate
METHYL2((4(3METHYLBUTOXY)PHENYL)METHYLENE)3OXOBENZO(B)FURAN5CARBOXYLATE
MFCD04448614
ZINC000002705051
ZINC02705051
ZINC2705051
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