Vitas-M small molecule compound

(9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-3-(3-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline

Catalog ID
STK538707
SMILES Clc1ccccc1C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccccc1Cl)/CCC2

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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 C29H21Cl2N3O2S MW 546.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N3O2S/c30-24-13-3-1-7-18(24)15-20-9-6-12-23-27(20)32-29-33(28(23)22-11-2-4-14-25(22)31)26(17-37-29)19-8-5-10-21(16-19)34(35)36/h1-5,7-8,10-11,13-17,28H,6,9,12H2/b20-15+
InChIKey
XVFHCKGPCPGKSI-HMMYKYKNSA-N
Synonyms
371143-77-0
(9E)5(2chlorophenyl)9((2chlorophenyl)methylidene)3(3nitrophenyl)5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)9(2chlorobenzylidene)5(2chlorophenyl)3(3nitrophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazoline
(E)9(2chlorobenzylidene)5(2chlorophenyl)3(3nitrophenyl)6789tetrahydro5Hthiazolo(23b)quinazoline
371143770
C1CC(=CC2=CC=CC=C2Cl)C3=C(C1)C(N4C(=CSC4=N3)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=CC=C6Cl
Clc1ccccc1C1C2=C(N=c3n1c(cs3)c1cccc(c1)(N+)(=O)(O))C(=Cc1ccccc1Cl)CCC2
InChI=1SC29H21Cl2N3O2Sc30241331718(24)152096122327(20)322933(28(23)2211241425(22)31)26(173729)19851021(1619)34(35)36h15781011131728H6912H2b2015+
MFCD03009279
ZINC000100814430
ZINC000100814431

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Available files

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