Vitas-M small molecule compound
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL032993
SMILES CC1Oc2ccccc2C=C1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2
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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 C27H18O7 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18O7/c1-15-18(10-16-4-2-3-5-21(16)32-15)12-25-26(28)20-8-7-19(13-23(20)34-25)33-27(29)17-6-9-22-24(11-17)31-14-30-22/h2-13,15H,14H2,1H3/b25-12-InChIKey
DGCBKVTWLWOLGI-ROTLSHHCSA-NSynonyms
859665-17-1((2Z)2((2methyl2Hchromen3yl)methylidene)3oxo1benzofuran6yl)13benzodioxole5carboxylate
(2Z)2((2methyl2Hchromen3yl)methylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2((2methyl2Hchromen3yl)methylene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((2METHYL(2HCHROMEN3YL))METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
859665171
CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC6=C(C=C5)OCO6
CC1Oc2ccccc2C=C1C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2
InChI=1SC27H18O7c11518(1016423521(16)3215)122526(28)208719(1323(20)3425)3327(29)17692224(1117)31143022h21315H14H21H3b2512
MFCD06495034
ZINC000002134311
ZINC000008789360
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