Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL296373
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)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 C25H20N2O7S MW 492.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7S/c1-3-30-24(29)21-13(2)26-25-27(22(21)15-5-7-17-19(10-15)34-12-32-17)23(28)20(35-25)9-14-4-6-16-18(8-14)33-11-31-16/h4-10,22H,3,11-12H2,1-2H3/b20-9-InChIKey
GJVLQLSAIGUKCK-UKWGHVSLSA-NSynonyms
(E)ethyl5(benzo(d)(13)dioxol5yl)2(benzo(d)(13)dioxol5ylmethylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC6=C(C=C5)OCO6)S2)C
ethyl(2Z)5(13benzodioxol5yl)2(13benzodioxol5ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2HBENZO(34D)13DIOXOLEN5YL)2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H20N2O7Sc133024(29)2113(2)262527(22(21)15571719(1015)34123217)23(28)20(3525)914461618(814)33113116h41022H31112H212H3b209
MFCD01061686
ZINC000000861897
ZINC000000861899
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