Vitas-M small molecule compound
1-phenyl-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Catalog ID
STK542121
SMILES O=C(c1ccccc1)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1
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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 C21H20N4O2S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S2/c1-12-22-19-17(14-9-21(2,3)27-10-16(14)29-19)18-23-24-20(25(12)18)28-11-15(26)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3InChIKey
OCTDBXXDLSJLPF-UHFFFAOYSA-NSynonyms
489401-91-41phenyl2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)ethanone
1phenyl2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)ethanone
489401914
CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=O)C5=CC=CC=C5
InChI=1SC21H20N4O2S2c112221917(14921(23)271016(14)2919)18232420(25(12)18)281115(26)137546813h48H911H213H3
MFCD03295947
ZINC000001240118
ZINC01240118
ZINC1240118
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