Vitas-M small molecule compound

4-(1,3-benzoxazol-2-ylsulfanyl)-5-nitrobenzene-1,2-dicarbonitrile

Catalog ID
STK727894
SMILES N#Cc1cc(Sc2nc3c(o2)cccc3)c(cc1C#N)[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 C15H6N4O3S MW 322.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H6N4O3S/c16-7-9-5-12(19(20)21)14(6-10(9)8-17)23-15-18-11-3-1-2-4-13(11)22-15/h1-6H
InChIKey
LXXDUJMKBMEOOZ-UHFFFAOYSA-N
Synonyms

4(13benzoxazol2ylsulfanyl)5nitrobenzene12dicarbonitrile
4(benzo(d)oxazol2ylthio)5nitrophthalonitrile
5BENZOXAZOL2YLTHIO4NITROBENZENE12DICARBONITRILE
C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C(=C3)C#N)C#N)(N+)(=O)(O)
InChI=1SC15H6N4O3Sc1679512(19(20)21)14(610(9)817)23151811312413(11)2215h16H
MFCD02041242
N#Cc1cc(Sc2nc3c(o2)cccc3)c(cc1C#N)(N+)(=O)(O)
ZINC000000082435
ZINC00082435
ZINC82435

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Available files

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