Vitas-M small molecule compound

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

Catalog ID
STL440428
SMILES CCOC(=O)C1=C(N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C\c1cn(c3c1cccc3)CCOc1ccc(cc1)C)/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 C41H37N3O6S MW 699.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H37N3O6S/c1-5-49-40(46)36-37(27-11-7-6-8-12-27)42-41-44(38(36)32-24-30(47-3)19-20-34(32)48-4)39(45)35(51-41)23-28-25-43(33-14-10-9-13-31(28)33)21-22-50-29-17-15-26(2)16-18-29/h6-20,23-25,38H,5,21-22H2,1-4H3/b35-23+
InChIKey
KDUMXSRUTLVSJU-QCFMCPCVSA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1cn(c3c1cccc3)CCOc1ccc(cc1)C)s2)c1ccccc1
ethyl(2E)5(25dimethoxyphenyl)2((1(2(4methylphenoxy)ethyl)1Hindol3yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD30712091
ZINC000150638599
ZINC000150638603

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.