Vitas-M small molecule compound

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

Catalog ID
STK259019
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C/c1c(OC)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 C32H26N2O4S MW 534.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N2O4S/c1-4-38-31(36)28-19(2)33-32-34(29(28)24-15-9-12-20-10-5-7-13-22(20)24)30(35)27(39-32)18-25-23-14-8-6-11-21(23)16-17-26(25)37-3/h5-18,29H,4H2,1-3H3/b27-18-
InChIKey
QUSBTHCXEJCOPH-IMRQLAEWSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1c(OC)ccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=C(C=CC6=CC=CC=C65)OC)S2)C
ethyl(2Z)2((2methoxynaphthalen1yl)methylidene)7methyl5(naphthalen1yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((2METHOXYNAPHTHALEN1YL)METHYLIDENE)7METHYL5NAPHTHALEN1YL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((2METHOXY1NAPHTHYL)METHYLENE)7METHYL5(1NAPHTHYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H26N2O4Sc143831(36)2819(2)333234(29(28)24159122010571322(20)24)30(35)27(3932)18252314861121(23)161726(25)373h51829H4H213H3b2718
MFCD03082832
ZINC000002175873
ZINC000002175875

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Available files

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