Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
Catalog ID
STK208370
SMILES N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1cccc(c1)[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 C22H14N2O5S MW 418.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O5S/c23-13-16-6-1-3-10-20(16)30-21-11-4-2-9-18(21)22(26)29-14-19(25)15-7-5-8-17(12-15)24(27)28/h1-12H,14H2InChIKey
QFFOAFAXXZGOSJ-UHFFFAOYSA-NSynonyms
(2(3NITROPHENYL)2OXOETHYL)2(2CYANOPHENYL)SULFANYLBENZOATE
2(3NITROPHENYL)2OXOETHYL2((2CYANOPHENYL)SULFANYL)BENZOATE
C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H14N2O5Sc2313166131020(16)30211142918(21)22(26)291419(25)1575817(1215)24(27)28h112H14H2
MFCD01050629
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000001192064
ZINC01192064
ZINC1192064
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