Vitas-M small molecule compound
{2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile (non-preferred name)
Catalog ID
STK758608
SMILES N#CC(C(C(C(=O)c1ccccc1)Sc1ccc(cc1)C)c1cccc(c1)[N+](=O)[O-])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 C25H19N3O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O3S/c1-17-10-12-22(13-11-17)32-25(24(29)18-6-3-2-4-7-18)23(20(15-26)16-27)19-8-5-9-21(14-19)28(30)31/h2-14,20,23,25H,1H3InChIKey
OEYYIIQKGKVDPR-UHFFFAOYSA-NSynonyms
(2((4methylphenyl)sulfanyl)1(3nitrophenyl)3oxo3phenylpropyl)propanedinitrile(nonpreferredname)
2(2(4METHYLPHENYL)SULFANYL1(3NITROPHENYL)3OXO3PHENYLPROPYL)PROPANEDINITRILE
CC1=CC=C(C=C1)SC(C(C2=CC(=CC=C2)(N+)(=O)(O))C(C#N)C#N)C(=O)C3=CC=CC=C3
InChI=1SC25H19N3O3Sc117101222(131117)3225(24(29)186324718)23(20(1526)1627)1985921(1419)28(30)31h214202325H1H3
MFCD01460057
N#CC(C(C(C(=O)c1ccccc1)Sc1ccc(cc1)C)c1cccc(c1)(N+)(=O)(O))C#N
ZINC000001446273
ZINC000001446276
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