Vitas-M small molecule compound
7-ethyl-1-(heptylsulfanyl)-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK531592
SMILES CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)CC
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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 C21H30N4O2S2 MW 434.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O2S2/c1-5-7-8-9-10-11-28-20-23-22-19-24(4)17(26)16-14-12-21(3,6-2)27-13-15(14)29-18(16)25(19)20/h5-13H2,1-4H3InChIKey
SOHOHTVLJSGTDL-UHFFFAOYSA-NSynonyms
7ethyl1(heptylsulfanyl)47dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7ethyl1(heptylthio)47dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CCCCCCCSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)CC)C(=O)N2C
InChI=1SC21H30N4O2S2c157891011282023221924(4)17(26)16141221(362)271315(14)2918(16)25(19)20h513H214H3
MFCD02239432
ZINC000001903491
ZINC000001903494
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