Vitas-M small molecule compound
2-{[4-(4-methoxyphenyl)-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}acetamide
Catalog ID
STK805094
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)N
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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 C20H19N5O3S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S2/c1-28-12-8-6-11(7-9-12)24-17(27)16-13-4-2-3-5-14(13)30-18(16)25-19(24)22-23-20(25)29-10-15(21)26/h6-9H,2-5,10H2,1H3,(H2,21,26)InChIKey
PGRUMLOITLCQTJ-UHFFFAOYSA-NSynonyms
6000-48-22((4(4methoxyphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
2((4(4methoxyphenyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
6000482
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CCCC5
InChI=1SC20H19N5O3S2c128128611(7912)2417(27)1613423514(13)3018(16)2519(24)222320(25)291015(21)26h69H2510H21H3(H22126)
MFCD01880463
ZINC000002275804
ZINC02275804
ZINC2275804
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