Vitas-M small molecule compound
pentyl [(8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Catalog ID
STK530638
SMILES CCCCCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC(C3)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 C25H28N4O3S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S2/c1-3-4-8-13-32-20(30)15-33-25-27-26-24-28(17-9-6-5-7-10-17)22(31)21-18-12-11-16(2)14-19(18)34-23(21)29(24)25/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3InChIKey
YQQLJFIJYYBGCK-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C)C(=O)N2C5=CC=CC=C5
InChI=1SC25H28N4O3S2c1348133220(30)15332527262428(1796571017)22(31)2118121116(2)1419(18)3423(21)29(24)25h5791016H3481115H212H3
MFCD02238372
pentyl((8methyl5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
pentyl2((8methyl5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
ZINC000002296363
ZINC000002296364
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