Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-(4-butoxy-3-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797908
SMILES CCCCOc1ccc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C
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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 C30H32N2O6S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6S/c1-6-8-16-37-23-14-9-20(17-24(23)36-5)18-25-28(33)32-27(21-10-12-22(35-4)13-11-21)26(29(34)38-15-7-2)19(3)31-30(32)39-25/h7,9-14,17-18,27H,2,6,8,15-16H2,1,3-5H3/b25-18-InChIKey
JXLVRLFJFBYTDK-BWAHOGKJSA-NSynonyms
CCCCOC1=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
CCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C
InChI=1SC30H32N2O6Sc16816372314920(1724(23)365)182528(33)3227(21101222(354)131121)26(29(34)381572)19(3)3130(32)3925h7914171827H2681516H2135H3b2518
MFCD03461814
prop2en1yl(2Z)2(4butoxy3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((4BUTOXY3METHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946145
ZINC000097946146
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