Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Catalog ID
STL051740
SMILES COc1cc(ccc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)CSc1nc2c(o1)cccc2)[O-]
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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 C28H21N5O5S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O5S/c1-35-20-10-7-15(11-22(20)36-2)24-17-9-8-16(34)12-21(17)37-27-25(24)26-31-23(32-33(26)14-29-27)13-39-28-30-18-5-3-4-6-19(18)38-28/h3-12,14,24,34H,13H2,1-2H3InChIKey
LFGUVPXQNOPKDI-UHFFFAOYSA-NSynonyms
848221-71-62((13benzoxazol2ylsulfanyl)methyl)12(34dimethoxyphenyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin3ium9olate
848221716
COc1cc(ccc1OC)C1c2ccc(cc2Oc2c1c1nc((nH+)n1cn2)CSc1nc2c(o1)cccc2)(O)
MFCD04189857
ZINC000101159297
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