Vitas-M small molecule compound
3-(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-2-olate
Catalog ID
STK563762
SMILES [O-]c1cc2ccccc2cc1c1nc2n(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/c33-22-13-19-9-5-4-8-18(19)12-21(22)25-29-26-24-20-10-11-31(14-17-6-2-1-3-7-17)15-23(20)34-27(24)28-16-32(26)30-25/h1-9,12-13,16,33H,10-11,14-15H2InChIKey
IXWGIFFBSBSRSD-UHFFFAOYSA-NSynonyms
488794-04-3(O)c1cc2ccccc2cc1c1nc2n(n1)cnc1c2c2CC(NH+)(Cc2s1)Cc1ccccc1
3(9benzyl891011tetrahydropyrido(4345)thieno(32e)(124)triazolo(15c)pyrimidin9ium2yl)naphthalen2olate
488794043
C1C(NH+)(CC2=C1C3=C(S2)N=CN4C3=NC(=N4)C5=CC6=CC=CC=C6C=C5(O))CC7=CC=CC=C7
InChI=1SC27H21N5OSc33221319954818(19)1221(22)2529262420101131(14176213717)1523(20)3427(24)281632(26)3025h1912131633H10111415H2
MFCD03292653
ZINC000020066047
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