Vitas-M small molecule compound

ethyl (2Z)-2-{[1-(3,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL440745
SMILES CCOC(=O)C1=C(N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccc(c(c1)Cl)Cl)/s2)c1ccccc1

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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 C39H31Cl2N3O5S MW 724.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H31Cl2N3O5S/c1-4-49-38(46)34-35(24-10-6-5-7-11-24)42-39-44(36(34)28-20-26(47-2)15-17-32(28)48-3)37(45)33(50-39)19-25-22-43(31-13-9-8-12-27(25)31)21-23-14-16-29(40)30(41)18-23/h5-20,22,36H,4,21H2,1-3H3/b33-19-
InChIKey
SXXPNQQBOBITLU-APTWKGOFSA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccc(c(c1)Cl)Cl)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC(=C(C=C6)Cl)Cl)S2)C7=CC=CC=C7
ETHYL(2Z)2((1((34DICHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)5(25DIMETHOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2((1(34dichlorobenzyl)1Hindol3yl)methylidene)5(25dimethoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC39H31Cl2N3O5Sc144938(46)3435(24106571124)423944(36(34)282026(472)151732(28)483)37(45)33(5039)19252243(3113981227(25)31)2123141629(40)30(41)1823h5202236H421H213H3b3319
MFCD06240875
ZINC000150348751
ZINC000150348753

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Available files

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