Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK698440
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(cc1)C(C)C)/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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-5-32-26(31)23-16(4)28-27-29(24(23)19-10-11-20-21(13-19)34-14-33-20)25(30)22(35-27)12-17-6-8-18(9-7-17)15(2)3/h6-13,15,24H,5,14H2,1-4H3/b22-12-InChIKey
LTDNNEDBLGXEAU-UUYOSTAYSA-NSynonyms
5649-00-3(E)ethyl5(benzo(d)(13)dioxol5yl)2(4isopropylbenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
5649003
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(cc1)C(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(C=C5)C(C)C)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)7methyl3oxo2(4(propan2yl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O5Sc153226(31)2316(4)282729(24(23)1910112021(1319)34143320)25(30)22(3527)12176818(9717)15(2)3h6131524H514H214H3b2212
MFCD01061693
ZINC000002188440
ZINC000002188442
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