Vitas-M small molecule compound

N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide

Catalog ID
STK209684
SMILES CCCCc1ccc2c(c1)sc(n2)NC(=O)c1ccc(cc1)[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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-2-3-4-12-5-10-15-16(11-12)25-18(19-15)20-17(22)13-6-8-14(9-7-13)21(23)24/h5-11H,2-4H2,1H3,(H,19,20,22)
InChIKey
BZVBXUULSXTYHE-UHFFFAOYSA-N
Synonyms

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCCCc1ccc2c(c1)sc(n2)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N3O3Sc1234125101516(1112)2518(1915)2017(22)136814(9713)21(23)24h511H24H21H3(H192022)
MFCD03925165
N(6BUTYL13BENZOTHIAZOL2YL)4NITROBENZAMIDE
ZINC000006241048
ZINC06241048
ZINC6241048

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.