Vitas-M small molecule compound
methyl 2-chloro-5-({[(3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STL378497
SMILES COC(=O)c1cc(ccc1Cl)NC(=S)NC(=O)c1cccc(c1)[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 C16H12ClN3O5S MW 393.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O5S/c1-25-15(22)12-8-10(5-6-13(12)17)18-16(26)19-14(21)9-3-2-4-11(7-9)20(23)24/h2-8H,1H3,(H2,18,19,21,26)InChIKey
PLODLQMPLMELHS-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O))Cl
COC(=O)c1cc(ccc1Cl)NC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC16H12ClN3O5Sc12515(22)12810(5613(12)17)1816(26)1914(21)932411(79)20(23)24h28H1H3(H218192126)
methyl2chloro5((((3nitrophenyl)carbonyl)carbamothioyl)amino)benzoate
METHYL2CHLORO5((3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD03307344
ZINC000005879488
ZINC05879488
ZINC5879488
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