Vitas-M small molecule compound

4-butoxy-N-{[4-(propanoylamino)phenyl]carbamothioyl}benzamide

Catalog ID
STK129781
SMILES CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)NC(=O)CC

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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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-3-5-14-27-18-12-6-15(7-13-18)20(26)24-21(28)23-17-10-8-16(9-11-17)22-19(25)4-2/h6-13H,3-5,14H2,1-2H3,(H,22,25)(H2,23,24,26,28)
InChIKey
OXZJHZLLIYXADT-UHFFFAOYSA-N
Synonyms

4BUTOXYN((4(PROPANOYLAMINO)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC
InChI=1SC21H25N3O3Sc13514271812615(71318)20(26)2421(28)231710816(91117)2219(25)42h613H3514H212H3(H2225)(H223242628)
MFCD02820511
ZINC000002984269
ZINC02984269
ZINC2984269

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Available files

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