Vitas-M small molecule compound

7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate

Catalog ID
STK832827
SMILES CC(=O)OCc1c(ccc2c1n(c1ccc(cc1)C)c(c2[N+](=O)[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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-12-5-7-16(8-6-12)22-13(2)20(23(26)27)17-9-10-19(29-15(4)25)18(21(17)22)11-28-14(3)24/h5-10H,11H2,1-4H3
InChIKey
PHUMYNOPYMKMNR-UHFFFAOYSA-N
Synonyms
352553-04-9
(6(ACETYLOXY)3NITRO2METHYL1(4METHYLPHENYL)1HINDOL7YL)METHYLACETATE
(6acetoxy2methyl3nitro1(ptolyl)1Hindol7yl)methylacetate
(6ACETYLOXY2METHYL1(4METHYLPHENYL)3NITROINDOL7YL)METHYLACETATE
352553049
7((acetyloxy)methyl)2methyl1(4methylphenyl)3nitro1Hindol6ylacetate
CC(=O)OCc1c(ccc2c1n(c1ccc(cc1)C)c(c2(N+)(=O)(O))C)OC(=O)C
CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)OC(=O)C)COC(=O)C)(N+)(=O)(O))C
InChI=1SC21H20N2O6c1125716(8612)2213(2)20(23(26)27)1791019(2915(4)25)18(21(17)22)112814(3)24h510H11H214H3
MFCD00846461
ZINC000000978436
ZINC00978436
ZINC978436

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Available files

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