Vitas-M small molecule compound
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-chloro-3-nitrobenzamide
Catalog ID
STK236654
SMILES COc1ccc(cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C21H14ClN3O4S MW 439.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4S/c1-29-18-9-7-13(21-24-15-4-2-3-5-19(15)30-21)10-16(18)23-20(26)12-6-8-14(22)17(11-12)25(27)28/h2-11H,1H3,(H,23,26)InChIKey
AXGFZTZVLJNHMV-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccc(cc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)c1nc2c(s1)cccc2
InChI=1SC21H14ClN3O4Sc129189713(212415423519(15)3021)1016(18)2320(26)126814(22)17(1112)25(27)28h211H1H3(H2326)
MFCD05850198
N(5(13benzothiazol2yl)2methoxyphenyl)4chloro3nitrobenzamide
ZINC000009190291
ZINC09190291
ZINC9190291
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