Vitas-M small molecule compound

N'-[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzohydrazide

Catalog ID
STK563414
SMILES CCCCN1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S

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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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c1-2-3-9-20-15(23)12(14(22)18-16(20)24)10-17-19-13(21)11-7-5-4-6-8-11/h4-8,10,17H,2-3,9H2,1H3,(H,19,21)(H,18,22,24)/b12-10+
InChIKey
KSHVXBNUUBLVFM-ZRDIBKRKSA-N
Synonyms

CCCCN1C(=NC(=O)C(=CNNC(=O)c2ccccc2)C1=O)S
MFCD03817833
ZINC000006783071
ZINC000038165665

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Available files

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