Vitas-M small molecule compound

N-(1-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl}-1-oxobutan-2-yl)-2-[(phenylcarbonyl)amino]benzamide

Catalog ID
STK096062
SMILES CCC(C(=O)NNC(=O)CSc1nc2c(o1)cccc2)NC(=O)c1ccccc1NC(=O)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 C27H25N5O5S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S/c1-2-19(26(36)32-31-23(33)16-38-27-30-21-14-8-9-15-22(21)37-27)28-25(35)18-12-6-7-13-20(18)29-24(34)17-10-4-3-5-11-17/h3-15,19H,2,16H2,1H3,(H,28,35)(H,29,34)(H,31,33)(H,32,36)
InChIKey
KHPQJZPLPLWBNG-UHFFFAOYSA-N
Synonyms
1025099-87-9
1025099879
2BENZAMIDON(1(2(2(13BENZOXAZOL2YLSULFANYL)ACETYL)HYDRAZINYL)1OXOBUTAN2YL)BENZAMIDE
2BENZAMIDON(1(2(2(BENZO(D)OXAZOL2YLTHIO)ACETYL)HYDRAZINYL)1OXOBUTAN2YL)BENZAMIDE
CCC(C(=O)NNC(=O)CSC1=NC2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4
CCC(C(=O)NNC(=O)CSc1nc2c(o1)cccc2)NC(=O)c1ccccc1NC(=O)c1ccccc1
InChI=1SC27H25N5O5Sc1219(26(36)323123(33)163827302114891522(21)3727)2825(35)1812671320(18)2924(34)17104351117h31519H216H21H3(H2835)(H2934)(H3133)(H3236)
MFCD03312685
N(1(2((13BENZOXAZOL2YLSULFANYL)ACETYL)HYDRAZINYL)1OXOBUTAN2YL)2((PHENYLCARBONYL)AMINO)BENZAMIDE
N(1(N(2(BENZOOXAZOL2YLSULFANYL)ACETYL)HYDRAZINOCARBONYL)PROPYL)2BENZOYLAMINOBENZAMIDE
STK096062
ZINC000008694342
ZINC000008694343

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Available files

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