Vitas-M small molecule compound

ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-2-{[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK061791
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)/c(=C/c1c(OCC(=O)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 C32H29BrN2O7S MW 665.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN2O7S/c1-5-40-27(36)17-42-24-13-11-19-9-7-8-10-21(19)22(24)16-26-30(37)35-29(20-12-14-25(39-4)23(33)15-20)28(31(38)41-6-2)18(3)34-32(35)43-26/h7-16,29H,5-6,17H2,1-4H3/b26-16-
InChIKey
KLAIFRSDFBVLLK-QQXSKIMKSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)c(=Cc1c(OCC(=O)OCC)ccc3c1cccc3)s2
CCOC(=O)COC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC(=C(C=C5)OC)Br
ETHYL(2Z)5(3BROMO4METHOXYPHENYL)2((2(2ETHOXY2OXOETHOXY)NAPHTHALEN1YL)METHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(3BROMO4METHOXYPHENYL)2((2(2ETHOXY2OXOETHOXY)NAPHTHALEN1YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H29BrN2O7Sc154027(36)1742241311199781021(19)22(24)162630(37)3529(20121425(394)23(33)1520)28(31(38)4162)18(3)3432(35)4326h71629H5617H214H3b2616
MFCD03032978
STK061791
ZINC000097958808
ZINC000097958809

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Available files

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