Vitas-M small molecule compound
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK049626
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1Cl)c1nc2c(s1)cccc2
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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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-2-30-19-10-8-13(12-18(19)26(28)29)21(27)24-17-11-14(7-9-15(17)23)22-25-16-5-3-4-6-20(16)31-22/h3-12H,2H2,1H3,(H,24,27)InChIKey
ZJLUSGUPAPRERE-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1cc(ccc1Cl)c1nc2c(s1)cccc2
InChI=1SC22H16ClN3O4Sc12301910813(1218(19)26(28)29)21(27)24171114(7915(17)23)222516534620(16)3122h312H2H21H3(H2427)
MFCD02630091
N(5(13BENZOTHIAZOL2YL)2CHLOROPHENYL)4ETHOXY3NITROBENZAMIDE
STK049626
ZINC000002811348
ZINC02811348
ZINC2811348
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