Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(propan-2-ylsulfanyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722407
SMILES COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SC(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 C22H24N4O2S2 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S2/c1-13(2)29-22-24-23-21-25(14-9-11-15(28-3)12-10-14)19(27)18-16-7-5-4-6-8-17(16)30-20(18)26(21)22/h9-13H,4-8H2,1-3H3InChIKey
ZEHIFMJIQWSCCS-UHFFFAOYSA-NSynonyms
351005-23-71(isopropylthio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351005237
4(4methoxyphenyl)1(propan2ylsulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)SC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC22H24N4O2S2c113(2)292224232125(1491115(283)121014)19(27)18167546817(16)3020(18)26(21)22h913H48H213H3
MFCD01952865
ZINC000002286114
ZINC02286114
ZINC2286114
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