Vitas-M small molecule compound
2-bromo-6-methoxy-4-[(E)-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK385567
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(s2)C)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
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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 C20H19BrN4O5S3 MW 571.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O5S3/c1-12-4-6-15(7-5-12)33(27,28)30-19-16(21)8-14(9-17(19)29-3)10-22-24-18(26)11-31-20-25-23-13(2)32-20/h4-10H,11H2,1-3H3,(H,24,26)/b22-10+InChIKey
ASDYBNINSYLGMW-LSHDLFTRSA-NSynonyms
(2bromo6methoxy4((E)((2((5methyl134thiadiazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl)4methylbenzenesulfonate
2BROMO6METHOXY4((E)(2(((5METHYL134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
4((1E)2(2(5METHYL(134THIADIAZOL2YLTHIO))ACETYLAMINO)2AZAVINYL)2BROMO6METHOXYPHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)CSC3=NN=C(S3)C)OC
COc1cc(C=NNC(=O)CSc2nnc(s2)C)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
InChI=1SC20H19BrN4O5S3c1124615(7512)33(2728)301916(21)814(917(19)293)10222418(26)113120252313(2)3220h410H11H213H3(H2426)b2210+
MFCD02122714
ZINC000059222156
ZINC100328815
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