Vitas-M small molecule compound

1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone

Catalog ID
STK553784
SMILES [O-][N+](=O)[C@H]1[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1c1ccccc1C=N2)C(=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 C19H16BrN3O3 MW 414.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN3O3/c1-11(24)17-16(12-6-8-14(20)9-7-12)19(23(25)26)18-15-5-3-2-4-13(15)10-21-22(17)18/h2-10,16-19H,1H3/t16-,17-,18-,19+/m1/s1
InChIKey
VSFJRMLOGUIBII-MKXGPGLRSA-N
Synonyms
1014004-32-0
(O)(N+)(=O)(C@H)1(C@H)(c2ccc(cc2)Br)(C@H)(N2(C@@H)1c1ccccc1C=N2)C(=O)C
1((1S2R3S10bR)2(4bromophenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)ethanone
1014004320
CC(=O)C1C(C(C2N1N=CC3=CC=CC=C23)(N+)(=O)(O))C4=CC=C(C=C4)Br
InChI=1SC19H16BrN3O3c111(24)1716(126814(20)9712)19(23(25)26)1815532413(15)102122(17)18h2101619H1H3t16171819+m1s1
MFCD18242744
ZINC000001313012
ZINC01313012
ZINC1313012

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Available files

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