Vitas-M small molecule compound

4-({4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenoxy}methyl)benzoate

Catalog ID
STL045431
SMILES [O-]C(=O)c1ccc(cc1)COc1ccc(cc1)/C=c/1\sc2n(c1=O)c1c([nH+]2)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 C24H16N2O4S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O4S/c27-22-21(31-24-25-19-3-1-2-4-20(19)26(22)24)13-15-7-11-18(12-8-15)30-14-16-5-9-17(10-6-16)23(28)29/h1-13H,14H2,(H,28,29)/b21-13-
InChIKey
NRQACFXPLZIUDL-BKUYFWCQSA-N
Synonyms
371118-15-9
(O)C(=O)c1ccc(cc1)COc1ccc(cc1)C=c1sc2n(c1=O)c1c((nH+)2)cccc1
371118159
4((4((3OXO13THIAZOLIDINO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((Z)(1OXO4H(13)THIAZOLO(32A)BENZIMIDAZOL9IUM2YLIDENE)METHYL)PHENOXY)METHYL)BENZOATE
4((4((Z)(3oxo(13)thiazolo(32a)benzimidazol9ium2(3H)ylidene)methyl)phenoxy)methyl)benzoate
C1=CC=C2C(=C1)NC3=(N+)2C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)(O))S3
InChI=1SC24H16N2O4Sc272221(31242519312420(19)26(22)24)131571118(12815)3014165917(10616)23(28)29h113H14H2(H2829)b2113
MFCD02609080
ZINC000008816943
ZINC8816943

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Available files

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