Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK877098
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cccc3c1cccc3)/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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-16-23(26(31)33-3)24(18-11-13-20(32-2)14-12-18)29-25(30)22(34-27(29)28-16)15-19-9-6-8-17-7-4-5-10-21(17)19/h4-15,24H,1-3H3/b22-15+InChIKey
CXTKUEXPFSVUTP-PXLXIMEGSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC4=CC=CC=C43)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc3c1cccc3)s2
InChI=1SC27H22N2O4Sc11623(26(31)333)24(18111320(322)141218)2925(30)22(3427(29)2816)1519968177451021(17)19h41524H13H3b2215+
methyl(2E)5(4methoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL5(4METHOXYPHENYL)7METHYL2(NAPHTHALEN1YLMETHYLIDENE)3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD03088876
ZINC000008915528
ZINC000008915529
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