Vitas-M small molecule compound
ethyl (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
STK993678
SMILES CCOC(=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 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(18-10-4-6-13-21(18)29)19-11-7-9-17(24(19)30-27(31)35-22)14-16-8-3-5-12-20(16)28/h3-6,8,10,12-15,25H,2,7,9,11H2,1H3/b17-14+,22-15-InChIKey
CNGVIJUWOYVHNZ-ZXPGUXPCSA-NSynonyms
947254-66-2(Z)ethyl2((E)9(2chlorobenzylidene)5(2chlorophenyl)3oxo356789hexahydro2Hthiazolo(23b)quinazolin2ylidene)acetate
947254662
CCOC(=O)C=C1C(=O)N2C(C3=C(C(=CC4=CC=CC=C4Cl)CCC3)N=C2S1)C5=CC=CC=C5Cl
CCOC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCCC3=Cc1ccccc1Cl
ethyl(2Z)((9E)9(2chlorobenzylidene)5(2chlorophenyl)3oxo6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
ethyl(2Z)2((9E)5(2chlorophenyl)9((2chlorophenyl)methylidene)3oxo5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
InChI=1SC27H22Cl2N2O3Sc123423(32)152226(33)3125(1810461321(18)29)19117917(24(19)3027(31)3522)14168351220(16)28h36810121525H27911H21H3b1714+2215
MFCD04154287
ZINC000101090719
ZINC000101090720
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