Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-(4-ethoxy-3-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798084
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(c(c1)OC)OCC)/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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-6-14-36-27(32)24-17(3)29-28-30(25(24)19-9-11-20(33-4)12-10-19)26(31)23(37-28)16-18-8-13-21(35-7-2)22(15-18)34-5/h6,8-13,15-16,25H,1,7,14H2,2-5H3/b23-16+InChIKey
SHZMMHRJXSMSPN-XQNSMLJCSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)OC)OCC)s2
CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC=C(C=C4)OC)OC
InChI=1SC28H28N2O6Sc16143627(32)2417(3)292830(25(24)1991120(334)121019)26(31)23(3728)161881321(3572)22(1518)345h6813151625H1714H225H3b2316+
MFCD03417322
prop2en1yl(2E)2(4ethoxy3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2E)2((4ETHOXY3METHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000026687577
ZINC000026687583
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