Vitas-M small molecule compound
2-oxo-2-phenylethyl 2-[(2,4-dinitrophenyl)sulfanyl]benzoate
Catalog ID
STK388631
SMILES O=C(c1ccccc1Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCC(=O)c1ccccc1
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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 C21H14N2O7S MW 438.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O7S/c24-18(14-6-2-1-3-7-14)13-30-21(25)16-8-4-5-9-19(16)31-20-11-10-15(22(26)27)12-17(20)23(28)29/h1-12H,13H2InChIKey
MWKRJBCAWLSLQC-UHFFFAOYSA-NSynonyms
355154-37-92oxo2phenylethyl2((24dinitrophenyl)sulfanyl)benzoate
2OXO2PHENYLETHYL2(24DINITROPHENYLTHIO)BENZOATE
355154379
C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H14N2O7Sc2418(146213714)133021(25)16845919(16)3120111015(22(26)27)1217(20)23(28)29h112H13H2
MFCD01885593
O=C(c1ccccc1Sc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))OCC(=O)c1ccccc1
PHENACYL2(24DINITROPHENYL)SULFANYLBENZOATE
ZINC000001839152
ZINC01839152
ZINC1839152
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