Vitas-M small molecule compound
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506244
SMILES C=CCOc1ccc(cc1OCC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc3c(c1)OCO3)/s2)C(=O)OCC
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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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-5-12-36-20-11-9-19(15-23(20)34-6-2)26-25(28(33)35-7-3)17(4)30-29-31(26)27(32)24(39-29)14-18-8-10-21-22(13-18)38-16-37-21/h5,8-11,13-15,26H,1,6-7,12,16H2,2-4H3/b24-14-InChIKey
CXHPHTJLKRLYPQ-OYKKKHCWSA-NSynonyms
6163642
ethyl(2~(Z))2(13benzodioxol5ylmethylidene)5(3ethoxy4prop2enoxyphenyl)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(13benzodioxol5ylmethylidene)5(3ethoxy4(prop2en1yloxy)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(3ETHOXY4PROP2ENOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H28N2O7Sc1512362011919(1523(20)3462)2625(28(33)3573)17(4)302931(26)27(32)24(3929)14188102122(1318)38163721h5811131526H1671216H224H3b2414
MFCD04083551
ZINC000100305838
ZINC000100305841
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