Vitas-M small molecule compound
3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl benzenesulfonate
Catalog ID
STL000444
SMILES O=C1c2ccccc2C(=O)C(=C1Nc1cccc(c1)OS(=O)(=O)c1ccccc1)n1nnc2c1cccc2
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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 C28H18N4O5S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N4O5S/c33-27-21-13-4-5-14-22(21)28(34)26(32-24-16-7-6-15-23(24)30-31-32)25(27)29-18-9-8-10-19(17-18)37-38(35,36)20-11-2-1-3-12-20/h1-17,29HInChIKey
PHMOHUAELWDDGO-UHFFFAOYSA-NSynonyms
847036-30-0(3((3(BENZOTRIAZOL1YL)14DIOXONAPHTHALEN2YL)AMINO)PHENYL)BENZENESULFONATE
3((3(1Hbenzo(d)(123)triazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenylbenzenesulfonate
3((3(1Hbenzotriazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenylbenzenesulfonate
847036300
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5
InChI=1SC28H18N4O5Sc33272113451422(21)28(34)26(322416761523(24)303132)25(27)2918981019(1718)3738(3536)20112131220h11729H
MFCD04178340
ZINC000097954525
ZINC97954525
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