Vitas-M small molecule compound
methyl 3-nitro-5-[(2-oxotetrahydrothiophen-3-yl)carbamoyl]benzoate
Catalog ID
STK054327
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NC1CCSC1=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 C13H12N2O6S MW 324.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O6S/c1-21-12(17)8-4-7(5-9(6-8)15(19)20)11(16)14-10-2-3-22-13(10)18/h4-6,10H,2-3H2,1H3,(H,14,16)InChIKey
MNEWINCQCNCJLD-UHFFFAOYSA-NSynonyms
448192-49-2448192492
5NITRON(2OXOTETRAHYDROTHIOPHEN3YL)ISOPHTHALAMICACIDMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC2=O)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NC1CCSC1=O
InChI=1SC13H12N2O6Sc12112(17)847(59(68)15(19)20)11(16)1410232213(10)18h4610H23H21H3(H1416)
METHYL3NITRO5((2OXOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)BENZOATE
METHYL3NITRO5((2OXOTHIOLAN3YL)CARBAMOYL)BENZOATE
MFCD02213989
STK054327
ZINC000000226582
ZINC000000226583
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