Vitas-M small molecule compound
ethyl (2Z)-2-(5-bromo-2-hydroxy-3-iodobenzylidene)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK048444
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cc(Br)cc(c1O)I)/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 C25H22BrIN2O5S MW 669.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrIN2O5S/c1-4-33-17-8-6-14(7-9-17)21-20(24(32)34-5-2)13(3)28-25-29(21)23(31)19(35-25)11-15-10-16(26)12-18(27)22(15)30/h6-12,21,30H,4-5H2,1-3H3/b19-11-InChIKey
UTIBSVVUBIXGRI-ODLFYWEKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cc(Br)cc(c1O)I)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC(=C4O)I)Br)S3)C)C(=O)OCC
ETHYL(2Z)2((5BROMO2HYDROXY3IODOPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(5BROMO2HYDROXY3IODOBENZYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(5BROMO2HYDROXY3IODOBENZYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H22BrIN2O5Sc1433178614(7917)2120(24(32)3452)13(3)282529(21)23(31)19(3525)11151016(26)1218(27)22(15)30h6122130H45H213H3b1911
MFCD02070339
STK048444
ZINC000097944495
ZINC000097944496
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