Vitas-M small molecule compound
ethyl 4-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzoate
Catalog ID
STL089233
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1Cl)cccc2[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 C18H13ClN2O5S MW 404.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O5S/c1-2-26-18(23)10-6-8-11(9-7-10)20-17(22)16-14(19)12-4-3-5-13(21(24)25)15(12)27-16/h3-9H,2H2,1H3,(H,20,22)InChIKey
ZQEKCWJIWOTBCV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)(N+)(=O)(O))Cl
CCOC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
ethyl4(((3chloro7nitro1benzothiophen2yl)carbonyl)amino)benzoate
ETHYL4((3CHLORO7NITRO1BENZOTHIOPHENE2CARBONYL)AMINO)BENZOATE
InChI=1SC18H13ClN2O5Sc122618(23)106811(9710)2017(22)1614(19)1243513(21(24)25)15(12)2716h39H2H21H3(H2022)
MFCD07176982
ZINC000008071802
ZINC08071802
ZINC8071802
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