Vitas-M small molecule compound
ethyl (2Z)-2-(4-hydroxy-3-iodo-5-methoxybenzylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK107733
SMILES CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(I)c(c(c1)OC)O)/s2)C(=O)OCC
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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 C27H27IN2O6S MW 634.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27IN2O6S/c1-5-11-36-19-10-8-7-9-17(19)23-22(26(33)35-6-2)15(3)29-27-30(23)25(32)21(37-27)14-16-12-18(28)24(31)20(13-16)34-4/h7-10,12-14,23,31H,5-6,11H2,1-4H3/b21-14-InChIKey
SMVLILKCXNRRME-STZFKDTASA-NSynonyms
CCCOC1=CC=CC=C1C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C(=C4)I)O)OC)S3)C)C(=O)OCC
CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(I)c(c(c1)OC)O)s2)C(=O)OCC
ETHYL(2Z)2((4HYDROXY3IODO5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5(2PROPOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4HYDROXY3IODO5METHOXYBENZYLIDENE)7METHYL3OXO5(2PROPOXYPHENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H27IN2O6Sc151136191087917(19)2322(26(33)3562)15(3)292730(23)25(32)21(3727)14161218(28)24(31)20(1316)344h71012142331H5611H214H3b2114
MFCD03167912
ZINC000097959555
ZINC000097959556
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.