Vitas-M small molecule compound
2-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]hydrazinyl}-1,3-benzothiazole
Catalog ID
STL418473
SMILES COc1cc(/C=N/Nc2nc3c(s2)cccc3)ccc1Oc1ccc(cc1[N+](=O)[O-])[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 C21H15N5O6S MW 465.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O6S/c1-31-19-10-13(12-22-24-21-23-15-4-2-3-5-20(15)33-21)6-8-18(19)32-17-9-7-14(25(27)28)11-16(17)26(29)30/h2-12H,1H3,(H,23,24)/b22-12+InChIKey
BDFWCGUATAKYNK-WSDLNYQXSA-NSynonyms
2((2E)2(4(24dinitrophenoxy)3methoxybenzylidene)hydrazinyl)13benzothiazole
COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(C=NNc2nc3c(s2)cccc3)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H15N5O6Sc131191013(122224212315423520(15)3321)6818(19)32179714(25(27)28)1116(17)26(29)30h212H1H3(H2324)b2212+
MFCD01008634
N((E)(4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENEAMINO)13BENZOTHIAZOL2AMINE
ZINC000009296481
ZINC33395964
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