Vitas-M small molecule compound

{2-[4-(acetyloxy)phenyl]-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methanediyl diacetate

Catalog ID
STK260121
SMILES CC(=O)Oc1ccc(cc1)N1C(=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 C21H19NO9 MW 429.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO9/c1-10(23)28-14-6-4-13(5-7-14)22-18(26)16-15-8-9-21(31-15,17(16)19(22)27)20(29-11(2)24)30-12(3)25/h4-9,15-17,20H,1-3H3
InChIKey
QNSWCCCHTNXZTQ-UHFFFAOYSA-N
Synonyms

(2(4(acetyloxy)phenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(4(7(diacetyloxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)phenyl)acetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C
InChI=1SC21H19NO9c110(23)28146413(5714)2218(26)16158921(311517(16)19(22)27)20(2911(2)24)3012(3)25h49151720H13H3
MFCD03159011
ZINC000101361107
ZINC000101361115

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Available files

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