Vitas-M small molecule compound
ethyl (2E)-2-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407051
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cc(OCC)c(c(c1)CC=C)O)/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 C29H30N2O6S MW 534.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6S/c1-6-9-20-14-18(15-22(26(20)32)36-7-2)16-23-27(33)31-25(19-10-12-21(35-5)13-11-19)24(28(34)37-8-3)17(4)30-29(31)38-23/h6,10-16,25,32H,1,7-9H2,2-5H3/b23-16+InChIKey
GLAKHFYSVCXCBT-XQNSMLJCSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(OCC)c(c(c1)CC=C)O)s2
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC
ETHYL(2E)2((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3ethoxy4hydroxy5(prop2en1yl)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H30N2O6Sc169201418(1522(26(20)32)3672)162327(33)3125(19101221(355)131119)24(28(34)3783)17(4)3029(31)3823h610162532H179H225H3b2316+
MFCD04084066
ZINC000100661965
ZINC000100661967
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