Vitas-M small molecule compound
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
Catalog ID
STK710454
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1cccc(c1C)[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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-13-6-11-18-20(12-13)29-22(24-18)15-7-9-16(10-8-15)23-21(26)17-4-3-5-19(14(17)2)25(27)28/h3-12H,1-2H3,(H,23,26)InChIKey
KRBKTVJQNBXBOV-UHFFFAOYSA-NSynonyms
2METHYLN(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)3NITROBENZAMIDE
2METHYLN(4(6METHYLBENZOTHIAZOL2YL)PHENYL)3NITROBENZAMIDE
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC22H17N3O3Sc1136111820(1213)2922(2418)157916(10815)2321(26)1743519(14(17)2)25(27)28h312H12H3(H2326)
MFCD00828103
ZINC000000705649
ZINC00705649
ZINC705649
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