Vitas-M small molecule compound

2-bromo-6-methoxy-4-{(E)-[2-({5-[(phenylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}acetyl)hydrazinylidene]methyl}phenyl 4-methylbenzenesulfonate

Catalog ID
STK040589
SMILES COc1cc(/C=N/NC(=O)Cc2nnc(s2)NC(=O)c2ccccc2)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 C26H22BrN5O6S2 MW 644.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5O6S2/c1-16-8-10-19(11-9-16)40(35,36)38-24-20(27)12-17(13-21(24)37-2)15-28-30-22(33)14-23-31-32-26(39-23)29-25(34)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,30,33)(H,29,32,34)/b28-15+
InChIKey
ADWHUQDNLLUZAN-RWPZCVJISA-N
Synonyms

(4((E)((2(5benzamido134thiadiazol2yl)acetyl)hydrazinylidene)methyl)2bromo6methoxyphenyl)4methylbenzenesulfonate
2BROMO6METHOXY4((E)(2((5((PHENYLCARBONYL)AMINO)134THIADIAZOL2YL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
4(2((5(BENZOYLAMINO)134THIADIAZOL2YL)ACETYL)CARBOHYDRAZONOYL)2BROMO6METHOXYPHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)CC3=NN=C(S3)NC(=O)C4=CC=CC=C4)OC
COc1cc(C=NNC(=O)Cc2nnc(s2)NC(=O)c2ccccc2)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
InChI=1SC26H22BrN5O6S2c11681019(11916)40(3536)382420(27)1217(1321(24)372)15283022(33)1423313226(3923)2925(34)186435718h31315H14H212H3(H3033)(H293234)b2815+
MFCD02201079
STK040589
ZINC000008492465
ZINC150483922

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Available files

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