Vitas-M small molecule compound
3-(butylsulfanyl)-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
STK538815
SMILES CCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(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 C21H25N5S2 MW 411.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5S2/c1-4-5-10-27-21-25-24-19-18-17(22-11-26(19)21)15-13-8-6-7-9-14(13)16(12(2)3)23-20(15)28-18/h11-12H,4-10H2,1-3H3InChIKey
XFESDZPCJVDXOT-UHFFFAOYSA-NSynonyms
371223-30-23(butylsulfanyl)11(propan2yl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3(butylthio)11isopropyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
371223302
CCCCSC1=NN=C2N1C=NC3=C2SC4=NC(=C5CCCCC5=C34)C(C)C
InChI=1SC21H25N5S2c1451027212524191817(221126(19)21)1513867914(13)16(12(2)3)2320(15)2818h1112H410H213H3
MFCD03010325
ZINC000001756970
ZINC01756970
ZINC1756970
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