Vitas-M small molecule compound
2-(4-nitrophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
Catalog ID
STK208369
SMILES N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(cc1)[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/c23-13-16-5-1-3-7-20(16)30-21-8-4-2-6-18(21)22(26)29-14-19(25)15-9-11-17(12-10-15)24(27)28/h1-12H,14H2InChIKey
XQEKLDJLVUQPJS-UHFFFAOYSA-NSynonyms
(2(4NITROPHENYL)2OXOETHYL)2(2CYANOPHENYL)SULFANYLBENZOATE
2(4NITROPHENYL)2OXOETHYL2((2CYANOPHENYL)SULFANYL)BENZOATE
2(4NITROPHENYL)2OXOETHYL2(2CYANOPHENYLTHIO)BENZOATE
C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H14N2O5Sc231316513720(16)3021842618(21)22(26)291419(25)1591117(121015)24(27)28h112H14H2
MFCD01050620
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000003239508
ZINC03239508
ZINC3239508
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