Vitas-M small molecule compound
ethyl (2Z)-[(9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-2(3H)-ylidene]ethanoate
Catalog ID
STL006950
SMILES CCOC(=O)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Cl)CCC/C/3=C\c1ccc(cc1)Cl
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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 C27H22Cl2N2O3S MW 525.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N2O3S/c1-2-34-23(32)15-22-26(33)31-25(17-8-12-20(29)13-9-17)21-5-3-4-18(24(21)30-27(31)35-22)14-16-6-10-19(28)11-7-16/h6-15,25H,2-5H2,1H3/b18-14+,22-15-InChIKey
CELDEWVGTXJPHT-KCZZZHDASA-NSynonyms
947254-65-1(Z)ethyl2((E)9(4chlorobenzylidene)5(4chlorophenyl)3oxo356789hexahydro2Hthiazolo(23b)quinazolin2ylidene)acetate
947254651
CCOC(=O)C=C1C(=O)N2C(C3=C(C(=CC4=CC=C(C=C4)Cl)CCC3)N=C2S1)C5=CC=C(C=C5)Cl
CCOC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Cl)CCCC3=Cc1ccc(cc1)Cl
ethyl(2Z)((9E)9(4chlorobenzylidene)5(4chlorophenyl)3oxo6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
ethyl(2Z)2((9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)3oxo5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
InChI=1SC27H22Cl2N2O3Sc123423(32)152226(33)3125(1781220(29)13917)2153418(24(21)3027(31)3522)141661019(28)11716h61525H25H21H3b1814+2215
MFCD04197359
ZINC000101174219
ZINC000101174223
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