Vitas-M small molecule compound
2-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ium-2-yl)naphthalen-1-olate
Catalog ID
STL040004
SMILES [O-]c1c(ccc2c1cccc2)c1nc2n(n1)cnc1c2c2CC[NH+](Cc2s1)Cc1ccccc1
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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 C27H21N5OS MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5OS/c33-24-19-9-5-4-8-18(19)10-11-21(24)25-29-26-23-20-12-13-31(14-17-6-2-1-3-7-17)15-22(20)34-27(23)28-16-32(26)30-25/h1-11,16,33H,12-15H2InChIKey
YLMIRMDPUDZWEE-UHFFFAOYSA-NSynonyms
500197-31-9(O)c1c(ccc2c1cccc2)c1nc2n(n1)cnc1c2c2CC(NH+)(Cc2s1)Cc1ccccc1
2(9benzyl891011tetrahydropyrido(4345)thieno(32e)(124)triazolo(15c)pyrimidin9ium2yl)naphthalen1olate
500197319
MFCD03305084
ZINC000020131326
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