Vitas-M small molecule compound

(2Z)-2-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-1-benzothiophen-3(2H)-one

Catalog ID
STK081560
SMILES Brc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2

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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 C22H14BrNO4S MW 468.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrNO4S/c23-18-11-15(12-21-22(25)17-3-1-2-4-20(17)29-21)7-10-19(18)28-13-14-5-8-16(9-6-14)24(26)27/h1-12H,13H2/b21-12-
InChIKey
PTWGZRYSYNWWSX-MTJSOVHGSA-N
Synonyms

(2Z)2((3bromo4((4nitrophenyl)methoxy)phenyl)methylidene)1benzothiophen3one
(2Z)2(3BROMO4((4NITROBENZYL)OXY)BENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
Brc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1Sc2c(C1=O)cccc2
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))Br)S2
InChI=1SC22H14BrNO4Sc23181115(122122(25)17312420(17)2921)71019(18)2813145816(9614)24(26)27h112H13H2b2112
MFCD05039621
STK081560
ZINC000009236145
ZINC09236145
ZINC9236145

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Available files

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