Vitas-M small molecule compound
methyl {[8-tert-butyl-4-(2-methylphenyl)-5-oxo-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
STK532535
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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/c1-14-8-6-7-9-17(14)28-21(31)20-16-11-10-15(25(2,3)4)12-18(16)34-22(20)29-23(28)26-27-24(29)33-13-19(30)32-5/h6-9,15H,10-13H2,1-5H3InChIKey
AMTHVIRINPWYAJ-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCC(C5)C(C)(C)C
InChI=1SC25H28N4O3S2c114867917(14)2821(31)2016111015(25(23)4)1218(16)3422(20)2923(28)262724(29)331319(30)325h6915H1013H215H3
methyl((8tertbutyl4(2methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((8(tertbutyl)5oxo4(otolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD02994348
ZINC000002301961
ZINC000002301962
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