Vitas-M small molecule compound
ethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675053
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2)c1ccccc1
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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 C34H26N2O6S MW 590.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O6S/c1-3-40-33(38)29-30(22-10-5-4-6-11-22)35-34-36(31(29)28-23-12-8-7-9-21(23)14-16-25(28)39-2)32(37)27(43-34)18-20-13-15-24-26(17-20)42-19-41-24/h4-18,31H,3,19H2,1-2H3/b27-18+InChIKey
YGAAFYLIUDAGRT-OVVQPSECSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1ccc3c(c1)OCO3)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC6=C(C=C5)OCO6)S2)C7=CC=CC=C7
ethyl(2E)2(13benzodioxol5ylmethylidene)5(2methoxynaphthalen1yl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(13BENZODIOXOL5YLMETHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(13BENZODIOXOL5YLMETHYLENE)5(2METHOXY1NAPHTHYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H26N2O6Sc134033(38)2930(22105461122)353436(31(29)28231287921(23)141625(28)392)32(37)27(4334)182013152426(1720)42194124h41831H319H212H3b2718+
MFCD01572456
ZINC000008443866
ZINC000008443869
Check stock
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Check stock on Vitas-MAvailable files
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