Vitas-M small molecule compound
2-[(8-benzyl-4-ethyl-5-oxo-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Catalog ID
STL004188
SMILES CCn1c2nnc(n2c2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1)SCC(=O)Nc1ccc(cc1)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 C28H28N6O2S2 MW 544.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O2S2/c1-3-33-25(36)24-21-13-14-32(15-19-7-5-4-6-8-19)16-22(21)38-26(24)34-27(33)30-31-28(34)37-17-23(35)29-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,29,35)InChIKey
AMHCIINPQPCGMN-UHFFFAOYSA-NSynonyms
843670-09-72((8benzyl4ethyl5oxo456789hexahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methylphenyl)acetamide
2((8benzyl4ethyl5oxo456789hexahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(ptolyl)acetamide
843670097
CCN1C(=O)C2=C(N3C1=NN=C3SCC(=O)NC4=CC=C(C=C4)C)SC5=C2CCN(C5)CC6=CC=CC=C6
InChI=1SC28H28N6O2S2c133325(36)2421131432(15197546819)1622(21)3826(24)3427(33)303128(34)371723(35)292011918(2)101220h412H31317H212H3(H2935)
MFCD04163004
ZINC000097954199
ZINC97954199
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