Vitas-M small molecule compound
methyl (2Z)-[(9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-2(3H)-ylidene]ethanoate
Catalog ID
STL000122
SMILES COC(=O)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCC/C/3=C\c1ccccc1Cl
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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(17-9-3-5-12-20(17)28)18-10-6-8-16(23(18)29-26(30)34-21)13-15-7-2-4-11-19(15)27/h2-5,7,9,11-14,24H,6,8,10H2,1H3/b16-13+,21-14-InChIKey
ODQZGGRDSFCLBJ-CQPDGHCISA-NSynonyms
947254-62-8(Z)methyl2((E)9(2chlorobenzylidene)5(2chlorophenyl)3oxo356789hexahydro2Hthiazolo(23b)quinazolin2ylidene)acetate
947254628
COC(=O)C=C1C(=O)N2C(C3=C(C(=CC4=CC=CC=C4Cl)CCC3)N=C2S1)C5=CC=CC=C5Cl
COC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCCC3=Cc1ccccc1Cl
InChI=1SC26H20Cl2N2O3Sc13322(31)142125(32)3024(179351220(17)28)18106816(23(18)2926(30)3421)13157241119(15)27h2579111424H6810H21H3b1613+2114
methyl(2Z)((9E)9(2chlorobenzylidene)5(2chlorophenyl)3oxo6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
methyl(2Z)2((9E)5(2chlorophenyl)9((2chlorophenyl)methylidene)3oxo5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
MFCD04168462
ZINC000009281681
ZINC000009281682
Check stock
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Check stock on Vitas-MAvailable files
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