Vitas-M small molecule compound
1-(4-fluorophenyl)-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
STK552686
SMILES O=C(c1ccc(cc1)F)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 C21H19FN4O2S2 MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O2S2/c1-11-23-19-17(14-8-21(2,3)28-9-16(14)30-19)18-24-25-20(26(11)18)29-10-15(27)12-4-6-13(22)7-5-12/h4-7H,8-10H2,1-3H3InChIKey
SAJXLCNZAYCFJK-UHFFFAOYSA-NSynonyms
799837-42-61(4fluorophenyl)2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)ethanone
1(4fluorophenyl)2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)ethanone
799837426
CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=O)C5=CC=C(C=C5)F
InChI=1SC21H19FN4O2S2c111231917(14821(23)28916(14)3019)18242520(26(11)18)291015(27)124613(22)7512h47H810H213H3
MFCD03685553
ZINC000002247137
ZINC02247137
ZINC2247137
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