Vitas-M small molecule compound
ethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK760236
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(o1)C)c(=O)/c(=C\c1ccc3c(c1)OCO3)/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 C23H20N2O6S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O6S/c1-4-28-22(27)19-13(3)24-23-25(20(19)16-7-5-12(2)31-16)21(26)18(32-23)10-14-6-8-15-17(9-14)30-11-29-15/h5-10,20H,4,11H2,1-3H3/b18-10+InChIKey
OKHMIKODDQRUBH-VCHYOVAHSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(o1)C)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(O3)C)C(=O)C(=CC4=CC5=C(C=C4)OCO5)S2)C
ethyl(2E)2(13benzodioxol5ylmethylidene)7methyl5(5methylfuran2yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL5(5METHYLFURAN2YL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H20N2O6Sc142822(27)1913(3)242325(20(19)167512(2)3116)21(26)18(3223)1014681517(914)30112915h51020H411H213H3b1810+
MFCD01572208
ZINC000008854444
ZINC000008854446
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