Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine

Catalog ID
STK756514
SMILES [O-][N+](=O)c1ccc(cc1)c1csc(n1)Nc1ccc2c(c1)OCO2

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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 C16H11N3O4S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4S/c20-19(21)12-4-1-10(2-5-12)13-8-24-16(18-13)17-11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2,(H,17,18)
InChIKey
JEJABRMMPFHKDN-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc2c(c1)OCO2
C1OC2=C(O1)C=C(C=C2)NC3=NC(=CS3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC16H11N3O4Sc2019(21)124110(2512)1382416(1813)1711361415(711)2392214h18H9H2(H1718)
MFCD01239888
N(13benzodioxol5yl)4(4nitrophenyl)13thiazol2amine
ZINC000000064309
ZINC00064309
ZINC64309

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Available files

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