Vitas-M small molecule compound
ethyl {[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}acetate
Catalog ID
STK554326
SMILES CCOC(=O)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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-4-28-14(27)9-29-21-25-24-19-18-17(22-10-26(19)21)15-12-7-5-6-8-13(12)16(11(2)3)23-20(15)30-18/h10-11H,4-9H2,1-3H3InChIKey
CAEKXFAICIMSGP-UHFFFAOYSA-NSynonyms
371929-60-1371929601
CCOC(=O)CSC1=NN=C2N1C=NC3=C2SC4=NC(=C5CCCCC5=C34)C(C)C
ethyl((11(propan2yl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetate
ethyl2((11isopropyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)acetate
InChI=1SC21H23N5O2S2c142814(27)929212524191817(221026(19)21)1512756813(12)16(11(2)3)2320(15)3018h1011H49H213H3
MFCD03007413
ZINC000009462425
ZINC09462425
ZINC9462425
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