Vitas-M small molecule compound
propan-2-yl (1-{[(2-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL064546
SMILES CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[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 C17H20N4O6S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O6S/c1-10(2)27-14(22)9-13-16(24)18-7-8-20(13)17(28)19-15(23)11-5-3-4-6-12(11)21(25)26/h3-6,10,13H,7-9H2,1-2H3,(H,18,24)(H,19,23,28)InChIKey
AJSTUDWWJSZGIA-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccccc1(N+)(=O)(O))C
InChI=1SC17H20N4O6Sc110(2)2714(22)91316(24)187820(13)17(28)1915(23)11534612(11)21(25)26h361013H79H212H3(H1824)(H192328)
MFCD05872226
propan2yl(1(((2nitrophenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
PROPAN2YL2(1((2NITROBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000010128958
ZINC000010128960
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