Vitas-M small molecule compound

ethyl (2Z)-5-(2-chlorophenyl)-2-[(2-ethoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK698271
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1c(OCC)ccc3c1cccc3)/s2

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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 C29H25ClN2O4S MW 533.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O4S/c1-4-35-23-15-14-18-10-6-7-11-19(18)21(23)16-24-27(33)32-26(20-12-8-9-13-22(20)30)25(28(34)36-5-2)17(3)31-29(32)37-24/h6-16,26H,4-5H2,1-3H3/b24-16-
InChIKey
YDLZKLINKRAQCC-JLPGSUDCSA-N
Synonyms

(Z)ethyl5(2chlorophenyl)2((2ethoxynaphthalen1yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1c(OCC)ccc3c1cccc3)s2
CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=CC=C5Cl
ethyl(2Z)5(2chlorophenyl)2((2ethoxynaphthalen1yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)2((2ETHOXYNAPHTHALEN1YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H25ClN2O4Sc14352315141810671119(18)21(23)162427(33)3226(2012891322(20)30)25(28(34)3652)17(3)3129(32)3724h61626H45H213H3b2416
MFCD01140554
ZINC000002300298
ZINC000002300300

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Available files

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