Vitas-M small molecule compound

(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK698151
SMILES [O-][N+](=O)c1cccc(c1)c1ccc(o1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

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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 C20H11N3O4S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11N3O4S/c24-19-18(28-20-21-15-6-1-2-7-16(15)22(19)20)11-14-8-9-17(27-14)12-4-3-5-13(10-12)23(25)26/h1-11H/b18-11+
InChIKey
OPVWJSWIFMUYFP-WOJGMQOQSA-N
Synonyms

(2E)2((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2E)2((5(3nitrophenyl)furan2yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(O)(N+)(=O)c1cccc(c1)c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)cccc1
(Z)2((5(3nitrophenyl)furan2yl)methylene)benzo(45)imidazo(21b)thiazol3(2H)one
C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O))S3
InChI=1SC20H11N3O4Sc241918(28202115612716(15)22(19)20)11148917(2714)1243513(1012)23(25)26h111Hb1811+
MFCD01304328
ZINC000004457831
ZINC04457831
ZINC4457831

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Available files

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