Vitas-M small molecule compound
5-methyl-2-oxo-2H-chromen-7-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK381190
SMILES O=C1N(c2cccc(c2)C(=O)Oc2cc(C)c3c(c2)oc(=O)cc3)C(=O)C2C1C1C=CC2C2C1C2
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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 C28H21NO6 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21NO6/c1-13-9-16(11-22-17(13)7-8-23(30)35-22)34-28(33)14-3-2-4-15(10-14)29-26(31)24-18-5-6-19(21-12-20(18)21)25(24)27(29)32/h2-11,18-21,24-25H,12H2,1H3InChIKey
UPRNVWIIHVNBRL-UHFFFAOYSA-NSynonyms
1024135-64-51024135645
5methyl2oxo2Hchromen7yl3(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
5methyl2oxo2Hchromen7yl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC(=CC=C3)N4C(=O)C5C6C=CC(C5C4=O)C7C6C7
InChI=1SC28H21NO6c113916(112217(13)7823(30)3522)3428(33)1432415(1014)2926(31)24185619(211220(18)21)25(24)27(29)32h21118212425H12H21H3
MFCD02314562
ZINC000239229073
ZINC000245328255
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