Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STL514037
SMILES Cc1oc2c(C[NH+]3CCCC3)c([O-])ccc2c(=O)c1c1nc2c(s1)cccc2

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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 C22H20N2O3S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S/c1-13-19(22-23-16-6-2-3-7-18(16)28-22)20(26)14-8-9-17(25)15(21(14)27-13)12-24-10-4-5-11-24/h2-3,6-9,25H,4-5,10-12H2,1H3
InChIKey
AQRVLANKVSZHSJ-UHFFFAOYSA-N
Synonyms
308297-80-5
3(13BENZOTHIAZOL2YL)2METHYL4OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
3(13benzothiazol2yl)2methyl4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate
308297805
3496837
InChI=1SC22H20N2O3Sc11319(222316623718(16)2822)20(26)148917(25)15(21(14)2713)122410451124h236925H451012H21H3
MFCD02167169
ZINC000002667133

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Available files

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