Vitas-M small molecule compound

2-methoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 2-nitrobenzenesulfonate

Catalog ID
STK712090
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=c/1\sc2n(c1=O)c1c(n2)cccc1

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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 C23H15N3O7S2 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O7S2/c1-32-19-12-14(13-20-22(27)25-16-7-3-2-6-15(16)24-23(25)34-20)10-11-18(19)33-35(30,31)21-9-5-4-8-17(21)26(28)29/h2-13H,1H3/b20-13-
InChIKey
GEQDFASRZXPMDZ-MOSHPQCFSA-N
Synonyms

(2METHOXY4((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
(Z)2methoxy4((3oxobenzo(45)imidazo(21b)thiazol2(3H)ylidene)methyl)phenyl2nitrobenzenesulfonate
2methoxy4((Z)(3oxo(13)thiazolo(32a)benzimidazol2(3H)ylidene)methyl)phenyl2nitrobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)OS(=O)(=O)C5=CC=CC=C5(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC23H15N3O7S2c132191214(132022(27)2516732615(16)2423(25)3420)101118(19)3335(3031)21954817(21)26(28)29h213H1H3b2013
MFCD02220132
ZINC000009057730
ZINC09057730
ZINC9057730

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Available files

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