Vitas-M small molecule compound

4-(2-phenylethyl)-7-(propan-2-yl)-1-thioxo-2,4,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one

Catalog ID
STK846672
SMILES CC(C1OCc2c(C1)c1c(=O)n(CCc3ccccc3)c3n(c1s2)c(=S)[nH]n3)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)15-10-14-16(11-27-15)29-19-17(14)18(26)24(20-22-23-21(28)25(19)20)9-8-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3,(H,23,28)
InChIKey
OJTKRIKYQUJWRV-UHFFFAOYSA-N
Synonyms
497242-95-2
4(2phenylethyl)7(propan2yl)1thioxo2469tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(1H)one
497242952
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)CCC5=CC=CC=C5
CC(C1OCc2c(C1)c1c(=O)n(CCc3ccccc3)c3n(c1s2)c(=S)(nH)n3)C
InChI=1SC21H22N4O2S2c112(2)15101416(112715)291917(14)18(26)24(20222321(28)25(19)20)98136435713h371215H811H212H3(H2328)
MFCD03808059
ZINC000001307909
ZINC000001307910

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Available files

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