Vitas-M small molecule compound
ethyl 4-({[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate
Catalog ID
STK212747
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC1CCN(CC1)c1ccc(cn1)[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)14-3-5-15(6-4-14)22-20(30)23-16-9-11-24(12-10-16)18-8-7-17(13-21-18)25(27)28/h3-8,13,16H,2,9-12H2,1H3,(H2,22,23,30)InChIKey
GRSMBQRPAXEJKJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=NC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=S)NC1CCN(CC1)c1ccc(cn1)(N+)(=O)(O)
ETHYL4(((1(5NITROPYRIDIN2YL)PIPERIDIN4YL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4((1(5NITROPYRIDIN2YL)PIPERIDIN4YL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC20H23N5O4Sc122919(26)143515(6414)2220(30)231691124(121016)188717(132118)25(27)28h381316H2912H21H3(H2222330)
MFCD07021573
ZINC000018217954
ZINC18217954
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