Vitas-M small molecule compound

methyl (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
STL005902
SMILES COC(=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 C26H20Cl2N2O3S MW 511.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N2O3S/c1-33-22(31)14-21-25(32)30-24(16-7-11-19(28)12-8-16)20-4-2-3-17(23(20)29-26(30)34-21)13-15-5-9-18(27)10-6-15/h5-14,24H,2-4H2,1H3/b17-13+,21-14-
InChIKey
LUXCGCFDSCNLIF-MWVANLNKSA-N
Synonyms
947254-61-7
(Z)methyl2((E)9(4chlorobenzylidene)5(4chlorophenyl)3oxo356789hexahydro2Hthiazolo(23b)quinazolin2ylidene)acetate
947254617
COC(=O)C=C1C(=O)N2C(C3=C(C(=CC4=CC=C(C=C4)Cl)CCC3)N=C2S1)C5=CC=C(C=C5)Cl
COC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Cl)CCCC3=Cc1ccc(cc1)Cl
InChI=1SC26H20Cl2N2O3Sc13322(31)142125(32)3024(1671119(28)12816)2042317(23(20)2926(30)3421)13155918(27)10615h51424H24H21H3b1713+2114
methyl(2Z)((9E)9(4chlorobenzylidene)5(4chlorophenyl)3oxo6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
methyl(2Z)2((9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)3oxo5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
MFCD04180480
ZINC000009158783
ZINC000009158784

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Available files

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