Vitas-M small molecule compound
1-phenyl-2-{[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]isoquinolin-3-yl]sulfanyl}ethanone
Catalog ID
STK539631
SMILES O=C(c1ccccc1)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 C25H23N5OS2 MW 473.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5OS2/c1-14(2)20-17-11-7-6-10-16(17)19-21-22(33-24(19)27-20)23-28-29-25(30(23)13-26-21)32-12-18(31)15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3InChIKey
VKUVVZTUUVUOIC-UHFFFAOYSA-NSynonyms
385386-74-31phenyl2((11(propan2yl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)ethanone
2((11isopropyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)1phenylethanone
385386743
CC(C)C1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)C6=CC=CC=C6)SC3=N1
InChI=1SC25H23N5OS2c114(2)201711761016(17)192122(3324(19)2720)23282925(30(23)132621)321218(31)158435915h35891314H671012H212H3
MFCD03285476
ZINC000001297908
ZINC01297908
ZINC1297908
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