Vitas-M small molecule compound
4-benzyl-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
STK541342
SMILES CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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/c1-12(2)15-9-14-16(11-27-15)29-19-17(14)18(26)24(10-13-7-5-4-6-8-13)20-22-23-21(28-3)25(19)20/h4-8,12,15H,9-11H2,1-3H3InChIKey
XHQGXJOJEASMNJ-UHFFFAOYSA-NSynonyms
383903-91-1383903911
4benzyl1(methylsulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl7isopropyl1(methylthio)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC)CC5=CC=CC=C5
InChI=1SC21H22N4O2S2c112(2)1591416(112715)291917(14)18(26)24(10137546813)20222321(283)25(19)20h481215H911H213H3
MFCD03283996
ZINC000001243042
ZINC000001243043
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