Vitas-M small molecule compound

6-amino-8-{5-bromo-2-[(3-nitrobenzyl)oxy]phenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

Catalog ID
STK118789
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1cccc(c1)[N+](=O)[O-])cc1c(c2)OCO1

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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 C24H16BrN3O6 MW 522.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16BrN3O6/c25-14-4-5-19(31-11-13-2-1-3-15(6-13)28(29)30)16(7-14)23-17-8-21-22(33-12-32-21)9-20(17)34-24(27)18(23)10-26/h1-9,23H,11-12,27H2
InChIKey
VFZOOMQCRLUURL-UHFFFAOYSA-N
Synonyms

6AMINO8(5BROMO2((3NITROBENZYL)OXY)PHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
6AMINO8(5BROMO2((3NITROPHENYL)METHOXY)PHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
C1OC2=C(O1)C=C3C(=C2)C(C(=C(O3)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H16BrN3O6c25144519(31111321315(613)28(29)30)16(714)231782122(33123221)920(17)3424(27)18(23)1026h1923H111227H2
MFCD04128070
N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1cccc(c1)(N+)(=O)(O))cc1c(c2)OCO1
ZINC000100326332
ZINC000100326335

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Available files

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