Vitas-M small molecule compound

2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate

Catalog ID
STK728322
SMILES O=C(c1cccc(c1)N1C(=O)c2c(C1=O)c(C)nc1c2cccc1)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-]

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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 C33H20ClN3O8 MW 621.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H20ClN3O8/c1-18-28-29(23-8-2-3-10-25(23)35-18)32(40)36(31(28)39)21-7-4-6-20(16-21)33(41)44-17-27(38)19-12-14-22(15-13-19)45-30-24(34)9-5-11-26(30)37(42)43/h2-16H,17H2,1H3
InChIKey
AXTCDKKOJXFAOM-UHFFFAOYSA-N
Synonyms
381209-26-3
(2(4(2CHLORO6NITROPHENOXY)PHENYL)2OXOETHYL)3(4METHYL13DIOXOPYRROLO(34C)QUINOLIN2YL)BENZOATE
2(4(2chloro6nitrophenoxy)phenyl)2oxoethyl3(4methyl13dioxo13dihydro2Hpyrrolo(34c)quinolin2yl)benzoate
2(4(2chloro6nitrophenoxy)phenyl)2oxoethyl3(4methyl13dioxo1Hpyrrolo(34c)quinolin2(3H)yl)benzoate
381209263
CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)(N+)(=O)(O)
InChI=1SC33H20ClN3O8c1182829(238231025(23)3518)32(40)36(31(28)39)2174620(1621)33(41)441727(38)19121422(151319)453024(34)951126(30)37(42)43h216H17H21H3
MFCD02041119
O=C(c1cccc(c1)N1C(=O)c2c(C1=O)c(C)nc1c2cccc1)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1(N+)(=O)(O)
ZINC000150411311
ZINC150411311

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Available files

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