Vitas-M small molecule compound
(9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL131953
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\1/SC(=C(S1)c1ccccc1)c1ccccc1)/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 C38H26Cl2N2OS3 MW 693.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H26Cl2N2OS3/c39-28-18-14-23(15-19-28)22-27-12-7-13-30-31(27)41-38-42(32(30)24-16-20-29(40)21-17-24)36(43)35(46-38)37-44-33(25-8-3-1-4-9-25)34(45-37)26-10-5-2-6-11-26/h1-6,8-11,14-22,32H,7,12-13H2/b27-22+InChIKey
VVSHBLUBOJBNAT-HPNDGRJYSA-NSynonyms
(9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2(45diphenyl13dithiol2ylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(9E)9(4chlorobenzylidene)5(4chlorophenyl)2(45diphenyl13dithiol2ylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=C5SC(=C(S5)C6=CC=CC=C6)C7=CC=CC=C7)SC4=N3)C8=CC=C(C=C8)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=C1SC(=C(S1)c1ccccc1)c1ccccc1)s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC38H26Cl2N2OS3c3928181423(151928)2227127133031(27)413842(32(30)24162029(40)211724)36(43)35(4638)374433(258314925)34(4537)26105261126h16811142232H71213H2b2722+
MFCD20746951
ZINC000097970879
ZINC000097970880
Check stock
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Check stock on Vitas-MAvailable files
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