Vitas-M small molecule compound

N-({2-[(3-bromo-4-methoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)-3-methylbenzamide

Catalog ID
STL062578
SMILES COc1ccc(cc1Br)C(=O)NNC(=S)NC(=O)c1cccc(c1)C

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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 C17H16BrN3O3S MW 422.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O3S/c1-10-4-3-5-11(8-10)15(22)19-17(25)21-20-16(23)12-6-7-14(24-2)13(18)9-12/h3-9H,1-2H3,(H,20,23)(H2,19,21,22,25)
InChIKey
ZPDIGQPIJLNFBN-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br
InChI=1SC17H16BrN3O3Sc11043511(810)15(22)1917(25)212016(23)126714(242)13(18)912h39H12H3(H2023)(H219212225)
MFCD03591587
N(((3BROMO4METHOXYBENZOYL)AMINO)CARBAMOTHIOYL)3METHYLBENZAMIDE
N((2((3bromo4methoxyphenyl)carbonyl)hydrazinyl)carbonothioyl)3methylbenzamide
ZINC000012289515
ZINC12289515

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Available files

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