Vitas-M small molecule compound

ethyl (2E)-5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

Catalog ID
STK729715
SMILES CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)/c(=O)n2C(=C(C1c1ccccc1Cl)S(=O)(=O)c1ccccc1)N

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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 C29H22Cl2N2O5S2 MW 613.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O5S2/c1-2-38-29(35)24-23(19-13-7-9-15-21(19)31)25(40(36,37)18-11-4-3-5-12-18)26(32)33-27(34)22(39-28(24)33)16-17-10-6-8-14-20(17)30/h3-16,23H,2,32H2,1H3/b22-16+
InChIKey
HZGPCPIBGPUDCD-CJLVFECKSA-N
Synonyms

(Z)ethyl5amino2(2chlorobenzylidene)7(2chlorophenyl)3oxo6(phenylsulfonyl)37dihydro2Hthiazolo(32a)pyridine8carboxylate
CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4)N)C(=O)C(=CC5=CC=CC=C5Cl)S2
CCOC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(=C(C1c1ccccc1Cl)S(=O)(=O)c1ccccc1)N
ethyl(2E)5amino2(2chlorobenzylidene)7(2chlorophenyl)3oxo6(phenylsulfonyl)23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
ethyl(2E)5amino6(benzenesulfonyl)7(2chlorophenyl)2((2chlorophenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
InChI=1SC29H22Cl2N2O5S2c123829(35)2423(1913791521(19)31)25(40(3637)18114351218)26(32)3327(34)22(3928(24)33)161710681420(17)30h31623H232H21H3b2216+
MFCD03249559
ZINC000102649881
ZINC000102649886

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Available files

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