Vitas-M small molecule compound
2-iodo-6-methoxy-4-[(E)-(2-{[2-(1H-pyrrol-1-yl)phenyl]carbonyl}hydrazinylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK005774
SMILES COc1cc(/C=N/NC(=O)c2ccccc2n2cccc2)cc(c1OS(=O)(=O)c1ccc(cc1)C)I
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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 C26H22IN3O5S MW 615.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22IN3O5S/c1-18-9-11-20(12-10-18)36(32,33)35-25-22(27)15-19(16-24(25)34-2)17-28-29-26(31)21-7-3-4-8-23(21)30-13-5-6-14-30/h3-17H,1-2H3,(H,29,31)/b28-17+InChIKey
MEPSHTWLJPRJOU-OGLMXYFKSA-NSynonyms
358401-26-0(2iodo6methoxy4((E)((2pyrrol1ylbenzoyl)hydrazinylidene)methyl)phenyl)4methylbenzenesulfonate
2IODO6METHOXY4((E)(2((2(1HPYRROL1YL)PHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
358401260
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=NNC(=O)C3=CC=CC=C3N4C=CC=C4)OC
COc1cc(C=NNC(=O)c2ccccc2n2cccc2)cc(c1OS(=O)(=O)c1ccc(cc1)C)I
InChI=1SC26H22IN3O5Sc11891120(121018)36(3233)352522(27)1519(1624(25)342)17282926(31)21734823(21)3013561430h317H12H3(H2931)b2817+
MFCD02373896
STK005774
ZINC000101378709
ZINC101378705
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