Vitas-M small molecule compound

(9E)-9-(3-methoxybenzylidene)-5-(3-methoxyphenyl)-3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline

Catalog ID
STK546445
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)[N+](=O)[O-])/C(=C/c1cccc(c1)OC)/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 C31H27N3O4S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O4S/c1-37-25-9-3-6-20(17-25)16-22-7-5-11-27-29(22)32-31-33(30(27)23-8-4-10-26(18-23)38-2)28(19-39-31)21-12-14-24(15-13-21)34(35)36/h3-4,6,8-10,12-19,30H,5,7,11H2,1-2H3/b22-16+
InChIKey
MJTNRKHHUGICLV-CJLVFECKSA-N
Synonyms
797798-53-9
(9E)5(3methoxyphenyl)9((3methoxyphenyl)methylidene)3(4nitrophenyl)5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)9(3methoxybenzylidene)5(3methoxyphenyl)3(4nitrophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazoline
(E)9(3methoxybenzylidene)5(3methoxyphenyl)3(4nitrophenyl)6789tetrahydro5Hthiazolo(23b)quinazoline
797798539
COC1=CC=CC(=C1)C=C2CCCC3=C2N=C4N(C3C5=CC(=CC=C5)OC)C(=CS4)C6=CC=C(C=C6)(N+)(=O)(O)
COc1cccc(c1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)(N+)(=O)(O))C(=Cc1cccc(c1)OC)CCC2
InChI=1SC31H27N3O4Sc1372593620(1725)162275112729(22)323133(30(27)23841026(1823)382)28(193931)21121424(151321)34(35)36h346810121930H5711H212H3b2216+
MFCD03668118
ZINC000100929453
ZINC000100929455

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Available files

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