Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-11-(propan-2-yl)-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
STK721662
SMILES Brc1ccc(cc1)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C
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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/c1-13(2)19-17-6-4-3-5-16(17)18-20-21(32-23(18)27-19)22-28-29-24(30(22)12-26-20)31-11-14-7-9-15(25)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3InChIKey
KPHFJAYCRQOORS-UHFFFAOYSA-NSynonyms
799832-17-03((4bromobenzyl)sulfanyl)11(propan2yl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3((4bromobenzyl)thio)11isopropyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
799832170
CC(C)C1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC6=CC=C(C=C6)Br)SC3=N1
InChI=1SC24H22BrN5S2c113(2)1917643516(17)182021(3223(18)2719)22282924(30(22)122620)3111147915(25)10814h7101213H3611H212H3
MFCD03684504
ZINC000097952193
ZINC97952193
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