Vitas-M small molecule compound
ethyl (2Z)-5-(3,4-dimethoxyphenyl)-2-[3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522574
SMILES C=CCOc1c(I)cc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC)C(=O)OCC)C
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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 C29H29IN2O7S MW 676.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29IN2O7S/c1-7-11-39-26-19(30)12-17(13-22(26)37-6)14-23-27(33)32-25(18-9-10-20(35-4)21(15-18)36-5)24(28(34)38-8-2)16(3)31-29(32)40-23/h7,9-10,12-15,25H,1,8,11H2,2-6H3/b23-14-InChIKey
NBZCWOOWJURDBG-UCQKPKSFSA-NSynonyms
C=CCOc1c(I)cc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC=C)OC)S2)C
ETHYL(2Z)5(34DIMETHOXYPHENYL)2((3IODO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(34dimethoxyphenyl)2(3iodo5methoxy4(prop2en1yloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H29IN2O7Sc1711392619(30)1217(1322(26)376)142327(33)3225(1891020(354)21(1518)365)24(28(34)3882)16(3)3129(32)4023h7910121525H1811H226H3b2314
MFCD02378680
ZINC000150439349
ZINC000150439352
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.