Vitas-M small molecule compound
(2E)-3-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK454917
SMILES COc1ccc(cc1COc1ccccc1[N+](=O)[O-])/C=C(/S(=O)(=O)c1ccccc1)\C#N
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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 C23H18N2O6S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O6S/c1-30-22-12-11-17(14-20(15-24)32(28,29)19-7-3-2-4-8-19)13-18(22)16-31-23-10-6-5-9-21(23)25(26)27/h2-14H,16H2,1H3/b20-14+InChIKey
PSIJMFLEMKBLPM-XSFVSMFZSA-NSynonyms
(2E)3(4methoxy3((2nitrophenoxy)methyl)phenyl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(4METHOXY3((2NITROPHENOXY)METHYL)PHENYL)PROP2ENENITRILE
COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC=CC=C3(N+)(=O)(O)
COc1ccc(cc1COc1ccccc1(N+)(=O)(O))C=C(S(=O)(=O)c1ccccc1)C#N
InChI=1SC23H18N2O6Sc13022121117(1420(1524)32(2829)197324819)1318(22)1631231065921(23)25(26)27h214H16H21H3b2014+
MFCD04220290
ZINC000001119839
ZINC01119839
ZINC1119839
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