Vitas-M small molecule compound
ethyl (2E)-2-{2-bromo-4-[(2-cyanobenzyl)oxy]-5-methoxybenzylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675235
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1cc(OC)c(cc1Br)OCc1ccccc1C#N)/s2)c1ccccc1
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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 C42H32BrN3O6S MW 786.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H32BrN3O6S/c1-4-51-41(48)37-38(26-13-6-5-7-14-26)45-42-46(39(37)36-30-17-11-10-12-25(30)18-19-32(36)49-2)40(47)35(53-42)21-29-20-33(50-3)34(22-31(29)43)52-24-28-16-9-8-15-27(28)23-44/h5-22,39H,4,24H2,1-3H3/b35-21+InChIKey
DBTRHCZLBQNKOC-XICOUIIWSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1cc(OC)c(cc1Br)OCc1ccccc1C#N)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC(=C(C=C5Br)OCC6=CC=CC=C6C#N)OC)S2)C7=CC=CC=C7
ETHYL(2E)2((2BROMO4((2CYANOPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(2bromo4((2cyanobenzyl)oxy)5methoxybenzylidene)5(2methoxynaphthalen1yl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC42H32BrN3O6Sc145141(48)3738(26136571426)454246(39(37)36301711101225(30)181932(36)492)40(47)35(5342)21292033(503)34(2231(29)43)52242816981527(28)2344h52239H424H213H3b3521+
MFCD01571693
ZINC000150364227
ZINC000150364229
Check stock
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