Vitas-M small molecule compound
N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
Catalog ID
STK107819
SMILES CCCCc1ccc2c(c1)sc(n2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-3-5-6-13-7-9-15-18(11-13)28-20(21-15)22-19(24)14-8-10-17(27-4-2)16(12-14)23(25)26/h7-12H,3-6H2,1-2H3,(H,21,22,24)InChIKey
VHWZCZBDWLLXAK-UHFFFAOYSA-NSynonyms
CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O)
CCCCc1ccc2c(c1)sc(n2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC20H21N3O4Sc135613791518(1113)2820(2115)2219(24)1481017(2742)16(1214)23(25)26h712H36H212H3(H212224)
MFCD03925150
N(6BUTYL13BENZOTHIAZOL2YL)4ETHOXY3NITROBENZAMIDE
ZINC000002837776
ZINC02837776
ZINC2837776
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