Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798186
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-16-25(28(34)36-4)26(20-12-13-22(37-17(2)32)23(14-20)35-3)31-27(33)24(38-29(31)30-16)15-19-10-7-9-18-8-5-6-11-21(18)19/h5-15,26H,1-4H3/b24-15+InChIKey
NNXBFZFDHLTEMS-BUVRLJJBSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC4=CC=CC=C43)SC2=N1)C5=CC(=C(C=C5)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cccc3c1cccc3)s2
InChI=1SC29H24N2O6Sc11625(28(34)364)26(20121322(3717(2)32)23(1420)353)3127(33)24(3829(31)3016)15191079188561121(18)19h51526H14H3b2415+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417587
ZINC000100838386
ZINC000100838388
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