Vitas-M small molecule compound
3-({4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenoxy}methyl)benzoate
Catalog ID
STL047573
SMILES [O-]C(=O)c1cccc(c1)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(31-24-25-19-6-1-2-7-20(19)26(22)24)13-15-8-10-18(11-9-15)30-14-16-4-3-5-17(12-16)23(28)29/h1-13H,14H2,(H,28,29)/b21-13-InChIKey
SHFPZAOOSSWHCY-BKUYFWCQSA-NSynonyms
348576-41-0(O)C(=O)c1cccc(c1)COc1ccc(cc1)C=c1sc2n(c1=O)c1c((nH+)2)cccc1
3((4((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((Z)(1OXO4H(13)THIAZOLO(32A)BENZIMIDAZOL9IUM2YLIDENE)METHYL)PHENOXY)METHYL)BENZOATE
3((4((Z)(3oxo(13)thiazolo(32a)benzimidazol9ium2(3H)ylidene)methyl)phenoxy)methyl)benzoate
348576410
InChI=1SC24H16N2O4Sc272221(31242519612720(19)26(22)24)131581018(11915)30141643517(1216)23(28)29h113H14H2(H2829)b2113
MFCD02219718
ZINC000009271618
ZINC9271618
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