Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(2-ethoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674206
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1c(OCC)ccc3c1cccc3)/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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-35-22-12-10-18-8-6-7-9-20(18)21(22)15-25-28(33)32-27(19-11-13-23-24(14-19)38-16-37-23)26(29(34)36-5-2)17(3)31-30(32)39-25/h6-15,27H,4-5,16H2,1-3H3/b25-15-InChIKey
YSZAJIBMQUKCIU-MYYYXRDXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1c(OCC)ccc3c1cccc3)s2
CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC6=C(C=C5)OCO6
ethyl(2Z)5(13benzodioxol5yl)2((2ethoxynaphthalen1yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)2((2ETHOXYNAPHTHALEN1YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H26N2O6Sc143522121018867920(18)21(22)152528(33)3227(1911132324(1419)38163723)26(29(34)3652)17(3)3130(32)3925h61527H4516H213H3b2515
MFCD01155381
ZINC000002916363
ZINC000002916367
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