Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-11-propyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Catalog ID
STK548944
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1ccc(cc1)Br
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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 C24H22BrN5S2 MW 524.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN5S2/c1-2-5-18-16-6-3-4-7-17(16)19-20-21(32-23(19)27-18)22-28-29-24(30(22)13-26-20)31-12-14-8-10-15(25)11-9-14/h8-11,13H,2-7,12H2,1H3InChIKey
ZSEDDMMDMNBWLO-UHFFFAOYSA-NSynonyms
836646-67-43((4bromobenzyl)sulfanyl)11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3((4bromobenzyl)thio)11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
836646674
CCCC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC6=CC=C(C=C6)Br)SC3=N1
InChI=1SC24H22BrN5S2c1251816634717(16)192021(3223(19)2718)22282924(30(22)132620)31121481015(25)11914h81113H2712H21H3
MFCD03691780
ZINC000097952461
ZINC97952461
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