Vitas-M small molecule compound
ethyl (2E)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK815786
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1cccc(c1)Oc1ccccc1)/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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-4-36-29(34)26-19(2)31-30-32(27(26)23-15-8-9-16-24(23)35-3)28(33)25(38-30)18-20-11-10-14-22(17-20)37-21-12-6-5-7-13-21/h5-18,27H,4H2,1-3H3/b25-18+InChIKey
KYIZBPOWWYHZOO-XIEYBQDHSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC(=CC=C4)OC5=CC=CC=C5)S2)C
ethyl(2E)5(2methoxyphenyl)7methyl3oxo2((3phenoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(2methoxyphenyl)7methyl3oxo2(3phenoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H26N2O5Sc143629(34)2619(2)313032(27(26)2315891624(23)353)28(33)25(3830)182011101422(1720)3721126571321h51827H4H213H3b2518+
MFCD04602854
ZINC000097946637
ZINC000097946638
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