Vitas-M small molecule compound
methyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173655
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)COc1ccc(cc1)I)OC)/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 C30H25IN2O5S MW 652.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25IN2O5S/c1-18-26(29(35)37-3)27(20-7-5-4-6-8-20)33-28(34)25(39-30(33)32-18)16-19-9-14-24(36-2)21(15-19)17-38-23-12-10-22(31)11-13-23/h4-16,27H,17H2,1-3H3/b25-16-InChIKey
XUEHQLHLUREWJI-XYGWBWBKSA-NSynonyms
445245-92-1445245921
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)I)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)COc1ccc(cc1)I)OC)s2
InChI=1SC30H25IN2O5Sc11826(29(35)373)27(207546820)3328(34)25(3930(33)3218)161991424(362)21(1519)173823121022(31)111323h41627H17H213H3b2516
METHYL(2Z)2((3((4IODOPHENOXY)METHYL)4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(3((4iodophenoxy)methyl)4methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02243276
ZINC000097959871
ZINC000097959872
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