Vitas-M small molecule compound
4-(3-methylphenyl)-1-(methylsulfanyl)-7-(propan-2-yl)-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
STK541172
SMILES CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-11(2)15-9-14-16(10-27-15)29-19-17(14)18(26)24(13-7-5-6-12(3)8-13)20-22-23-21(28-4)25(19)20/h5-8,11,15H,9-10H2,1-4H3InChIKey
IGGCZSMILFNNPD-UHFFFAOYSA-NSynonyms
383900-72-9383900729
4(3methylphenyl)1(methylsulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl1(methylthio)4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SC)SC5=C3CC(OC5)C(C)C
InChI=1SC21H22N4O2S2c111(2)1591416(102715)291917(14)18(26)24(1375612(3)813)20222321(284)25(19)20h581115H910H214H3
MFCD03283854
ZINC000001299513
ZINC000001299514
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