Vitas-M small molecule compound

4-nitro-N-[(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]benzamide

Catalog ID
STK066207
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])NC(=S)N1c2ccccc2C(CC1(C)C)(C)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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-25(2)17-26(3,19-9-5-4-6-10-19)21-11-7-8-12-22(21)28(25)24(33)27-23(30)18-13-15-20(16-14-18)29(31)32/h4-16H,17H2,1-3H3,(H,27,30,33)
InChIKey
RFULOEMKJGHASG-UHFFFAOYSA-N
Synonyms
348118-35-4
348118354
4NITRON((224TRIMETHYL4PHENYL34DIHYDROQUINOLIN1(2H)YL)CARBONOTHIOYL)BENZAMIDE
4nitroN(224trimethyl4phenyl1234tetrahydroquinoline1carbonothioyl)benzamide
4NITRON(224TRIMETHYL4PHENYL3HQUINOLINE1CARBOTHIOYL)BENZAMIDE
CC1(CC(C2=CC=CC=C2N1C(=S)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))(C)C4=CC=CC=C4)C
InChI=1SC26H25N3O3Sc125(2)1726(31995461019)2111781222(21)28(25)24(33)2723(30)18131520(161418)29(31)32h416H17H213H3(H273033)
MFCD01171363
O=C(c1ccc(cc1)(N+)(=O)(O))NC(=S)N1c2ccccc2C(CC1(C)C)(C)c1ccccc1
STK066207
ZINC000001764214
ZINC000001764217

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.