Vitas-M small molecule compound

ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[2-(naphthalen-1-ylmethoxy)benzylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK377528
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccccc1OCc1cccc3c1cccc3)/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 C34H27ClN2O4S MW 595.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27ClN2O4S/c1-3-40-33(39)30-21(2)36-34-37(31(30)23-15-17-26(35)18-16-23)32(38)29(42-34)19-24-10-5-7-14-28(24)41-20-25-12-8-11-22-9-4-6-13-27(22)25/h4-19,31H,3,20H2,1-2H3/b29-19+
InChIKey
UKSRGPPQJOQIAW-VUTHCHCSSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccccc1OCc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=CC=C4OCC5=CC=CC6=CC=CC=C65)S2)C
ETHYL(2E)5(4CHLOROPHENYL)7METHYL2((2(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(4chlorophenyl)7methyl2(2(naphthalen1ylmethoxy)benzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4CHLOROPHENYL)7METHYL2((2(NAPHTHYLMETHOXY)PHENYL)METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H27ClN2O4Sc134033(39)3021(2)363437(31(30)23151726(35)181623)32(38)29(4234)192410571428(24)41202512811229461327(22)25h41931H320H212H3b2919+
MFCD02271978
ZINC000097962879
ZINC000097962880

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Available files

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