Vitas-M small molecule compound
3-bromo-N-[(2-{[(cyclohexylcarbonyl)amino]acetyl}hydrazinyl)carbonothioyl]-4-methylbenzamide (non-preferred name)
Catalog ID
STL064005
SMILES O=C(CNC(=O)C1CCCCC1)NNC(=S)NC(=O)c1ccc(c(c1)Br)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 C18H23BrN4O3S MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN4O3S/c1-11-7-8-13(9-14(11)19)17(26)21-18(27)23-22-15(24)10-20-16(25)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,20,25)(H,22,24)(H2,21,23,26,27)InChIKey
VAAMZMSAGZFMCZ-UHFFFAOYSA-NSynonyms
3BROMON(((2(CYCLOHEXANECARBONYLAMINO)ACETYL)AMINO)CARBAMOTHIOYL)4METHYLBENZAMIDE
3bromoN((2(((cyclohexylcarbonyl)amino)acetyl)hydrazinyl)carbonothioyl)4methylbenzamide(nonpreferredname)
CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)Br
InChI=1SC18H23BrN4O3Sc1117813(914(11)19)17(26)2118(27)232215(24)102016(25)125324612h7912H2610H21H3(H2025)(H2224)(H221232627)
MFCD05054619
ZINC000012291998
ZINC12291998
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