Vitas-M small molecule compound
ethyl 4-amino-2-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Catalog ID
STL359714
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1ccc(c(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 C16H17N5O5S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O5S/c1-3-26-15(23)11-7-18-16(20-14(11)17)27-8-13(22)19-10-5-4-9(2)12(6-10)21(24)25/h4-7H,3,8H2,1-2H3,(H,19,22)(H2,17,18,20)InChIKey
NTIZNYFSCKHOQJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)C)(N+)(=O)(O)
CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1ccc(c(c1)(N+)(=O)(O))C
ethyl4amino2((2((4methyl3nitrophenyl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ETHYL4AMINO2(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC16H17N5O5Sc132615(23)1171816(2014(11)17)27813(22)1910549(2)12(610)21(24)25h47H38H212H3(H1922)(H2171820)
MFCD06629116
ZINC000002882792
ZINC02882792
ZINC2882792
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