Vitas-M small molecule compound
2-{[10,10-dimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Catalog ID
STL236590
SMILES CC(Sc1nc2sc3c(c2c2n1c(SCC(=O)N1CCCCC1)nn2)CC(OC3)(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 C22H29N5O2S3 MW 491.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2S3/c1-13(2)31-20-23-19-17(14-10-22(3,4)29-11-15(14)32-19)18-24-25-21(27(18)20)30-12-16(28)26-8-6-5-7-9-26/h13H,5-12H2,1-4H3InChIKey
XYOBSFKQNTXONI-UHFFFAOYSA-NSynonyms
877802-76-12((1010dimethyl5(propan2ylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(piperidin1yl)ethanone
2((5(isopropylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1(piperidin1yl)ethanone
877802761
CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)N5CCCCC5
InChI=1SC22H29N5O2S3c113(2)3120231917(141022(34)291115(14)3219)18242521(27(18)20)301216(28)268657926h13H512H214H3
MFCD05704404
ZINC000009346051
ZINC09346051
ZINC9346051
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