Vitas-M small molecule compound

ethyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate

Catalog ID
STK257070
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(OC2C=C1)C(OC(=O)C)OC(=O)C

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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 C22H21NO9 MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO9/c1-4-29-20(28)13-7-5-6-8-14(13)23-18(26)16-15-9-10-22(32-15,17(16)19(23)27)21(30-11(2)24)31-12(3)25/h5-10,15-17,21H,4H2,1-3H3
InChIKey
SCTSXRAQMFCZOR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C
ETHYL2(4(BIS(ACETYLOXY)METHYL)13DIOXO133A477AHEXAHYDRO2H47EPOXYISOINDOL2YL)BENZOATE
ethyl2(7(diacetyloxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoate
InChI=1SC22H21NO9c142920(28)13756814(13)2318(26)161591022(321517(16)19(23)27)21(3011(2)24)3112(3)25h510151721H4H213H3
MFCD03552817
ZINC000101397026
ZINC000101397035

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Available files

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