Vitas-M small molecule compound
N-[(2-{[4-(butan-2-yl)phenoxy]acetyl}hydrazinyl)carbonothioyl]-3-nitrobenzamide
Catalog ID
STL063615
SMILES CCC(c1ccc(cc1)OCC(=O)NNC(=S)NC(=O)c1cccc(c1)[N+](=O)[O-])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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-3-13(2)14-7-9-17(10-8-14)29-12-18(25)22-23-20(30)21-19(26)15-5-4-6-16(11-15)24(27)28/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H2,21,23,26,30)InChIKey
UDZLXRQFHCFVLP-UHFFFAOYSA-NSynonyms
CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CCC(c1ccc(cc1)OCC(=O)NNC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC20H22N4O5Sc1313(2)147917(10814)291218(25)222320(30)2119(26)1554616(1115)24(27)28h41113H312H212H3(H2225)(H221232630)
MFCD05656071
N(((2(4BUTAN2YLPHENOXY)ACETYL)AMINO)CARBAMOTHIOYL)3NITROBENZAMIDE
N((2((4(butan2yl)phenoxy)acetyl)hydrazinyl)carbonothioyl)3nitrobenzamide
ZINC000012291914
ZINC000012291920
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