Vitas-M small molecule compound
ethyl 4-({[1-(3-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate
Catalog ID
STK212752
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC1CCN(CC1)c1ncccc1[N+](=O)[O-]
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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 C20H23N5O4S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O4S/c1-2-29-19(26)14-5-7-15(8-6-14)22-20(30)23-16-9-12-24(13-10-16)18-17(25(27)28)4-3-11-21-18/h3-8,11,16H,2,9-10,12-13H2,1H3,(H2,22,23,30)InChIKey
MDVGXDXBXSSMHS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C(C=CC=N3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=S)NC1CCN(CC1)c1ncccc1(N+)(=O)(O)
ETHYL4(((1(3NITROPYRIDIN2YL)PIPERIDIN4YL)CARBAMOTHIOYL)AMINO)BENZOATE
ethyl4((1(3nitropyridin2yl)piperidin4yl)carbamothioylamino)benzoate
InChI=1SC20H23N5O4Sc122919(26)145715(8614)2220(30)231691224(131016)1817(25(27)28)43112118h381116H29101213H21H3(H2222330)
MFCD07021578
ZINC000018217964
ZINC18217964
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