Vitas-M small molecule compound
ethyl [(8-tert-butyl-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
STK804966
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC(C3)C(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 C25H28N4O3S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S2/c1-5-32-19(30)14-33-24-27-26-23-28(16-9-7-6-8-10-16)21(31)20-17-12-11-15(25(2,3)4)13-18(17)34-22(20)29(23)24/h6-10,15H,5,11-14H2,1-4H3InChIKey
FLIFEESKIPASKS-UHFFFAOYSA-NSynonyms
351338-60-8351338608
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2C5=CC=CC=C5
ethyl((8tertbutyl5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((8(tertbutyl)5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC25H28N4O3S2c153219(30)14332427262328(1697681016)21(31)2017121115(25(23)4)1318(17)3422(20)29(23)24h61015H51114H214H3
MFCD01876766
ZINC000001745272
ZINC000001745275
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