Vitas-M small molecule compound
2-[(E)-{2-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]phenyl 4-nitrobenzenesulfonate
Catalog ID
STK361889
SMILES O=C(CSc1nc2c(s1)cccc2)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C22H16N4O6S3 MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O6S3/c27-21(14-33-22-24-18-6-2-4-8-20(18)34-22)25-23-13-15-5-1-3-7-19(15)32-35(30,31)17-11-9-16(10-12-17)26(28)29/h1-13H,14H2,(H,25,27)/b23-13+InChIKey
RBQPWGVDWSHNFC-YDZHTSKRSA-NSynonyms
(2((E)((2(13benzothiazol2ylsulfanyl)acetyl)hydrazinylidene)methyl)phenyl)4nitrobenzenesulfonate
2((E)(2((13BENZOTHIAZOL2YLSULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZENESULFONATE
C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H16N4O6S3c2721(1433222418624820(18)3422)25231315513719(15)3235(3031)1711916(101217)26(28)29h113H14H2(H2527)b2313+
MFCD01874145
O=C(CSc1nc2c(s1)cccc2)NN=Cc1ccccc1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000100478374
ZINC100478367
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