Vitas-M small molecule compound

(2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-[4-(morpholin-4-yl)benzylidene]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one

Catalog ID
STL112503
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)N1CCOCC1)/s3)/C(=C/c1ccc(cc1)Cl)/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 C34H29Cl2N3O2S MW 614.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29Cl2N3O2S/c35-26-10-4-22(5-11-26)20-25-2-1-3-29-31(25)37-34-39(32(29)24-8-12-27(36)13-9-24)33(40)30(42-34)21-23-6-14-28(15-7-23)38-16-18-41-19-17-38/h4-15,20-21,32H,1-3,16-19H2/b25-20+,30-21+
InChIKey
AUGJJWXGRDOKQL-NEYSBOPRSA-N
Synonyms

(2E9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2((4morpholin4ylphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4chlorobenzylidene)5(4chlorophenyl)2(4(morpholin4yl)benzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=C(C=C5)N6CCOCC6)SC4=N3)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)N1CCOCC1)s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC34H29Cl2N3O2Sc352610422(51126)20252132931(25)373439(32(29)2481227(36)13924)33(40)30(4234)212361428(15723)38161841191738h415202132H131619H2b2520+3021+
MFCD20746956
ZINC000097970791
ZINC000097970792

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Available files

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