Vitas-M small molecule compound
methyl 3-nitro-4-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate
Catalog ID
STK735692
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1[nH]cc(n1)c1ccccc1
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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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c1-24-16(21)12-7-8-15(14(9-12)20(22)23)25-17-18-10-13(19-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)InChIKey
JNFVDTWJQMRGHP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)SC2=NC=C(N2)C3=CC=CC=C3)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)(N+)(=O)(O))Sc1(nH)cc(n1)c1ccccc1
InChI=1SC17H13N3O4Sc12416(21)127815(14(912)20(22)23)2517181013(1917)115324611h210H1H3(H1819)
methyl3nitro4((4phenyl1Himidazol2yl)sulfanyl)benzoate
METHYL3NITRO4((5PHENYL1HIMIDAZOL2YL)SULFANYL)BENZOATE
METHYL3NITRO4(4PHENYLIMIDAZOL2YLTHIO)BENZOATE
MFCD01895797
ZINC000001066345
ZINC01066345
ZINC1066345
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