Vitas-M small molecule compound
methyl 2-{8-[bis(4-methoxyphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzoate
Catalog ID
STL384078
SMILES COc1ccc(cc1)/C(=C\1/C2C=CC1C1C2C(=O)N(C1=O)c1ccccc1C(=O)OC)/c1ccc(cc1)OC
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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 C32H27NO6 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO6/c1-37-20-12-8-18(9-13-20)26(19-10-14-21(38-2)15-11-19)27-23-16-17-24(27)29-28(23)30(34)33(31(29)35)25-7-5-4-6-22(25)32(36)39-3/h4-17,23-24,28-29H,1-3H3InChIKey
HBNFEGPBZAGIPM-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C(=O)OC)C6=CC=C(C=C6)OC
COc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)N(C1=O)c1ccccc1C(=O)OC)c1ccc(cc1)OC
InChI=1SC32H27NO6c1372012818(91320)26(19101421(382)151119)2723161724(27)2928(23)30(34)33(31(29)35)25754622(25)32(36)393h41723242829H13H3
methyl2(8(bis(4methoxyphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD17010793
ZINC000101024888
ZINC000226630346
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