Vitas-M small molecule compound
3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)naphthalen-2-olate
Catalog ID
STK565376
SMILES [O-]c1cc2ccccc2cc1c1[nH+]c2n(n1)cnc1c2c2CCCCCc2s1
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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 C22H18N4OS MW 386.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4OS/c27-17-11-14-7-5-4-6-13(14)10-16(17)20-24-21-19-15-8-2-1-3-9-18(15)28-22(19)23-12-26(21)25-20/h4-7,10-12,27H,1-3,8-9H2InChIKey
OBFBYCKDIGGJBO-UHFFFAOYSA-NSynonyms
374910-80-2(O)c1cc2ccccc2cc1c1(nH+)c2n(n1)cnc1c2c2CCCCCc2s1
3(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin1ium2yl)naphthalen2olate
374910802
MFCD02235211
ZINC000000894760
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