Vitas-M small molecule compound
4-benzyl-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL324656
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3
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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 C21H20N4OS2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS2/c1-2-12-27-21-23-22-20-24(13-14-8-4-3-5-9-14)18(26)17-15-10-6-7-11-16(15)28-19(17)25(20)21/h2-5,8-9H,1,6-7,10-13H2InChIKey
IXCIHJFVQCBAII-UHFFFAOYSA-NSynonyms
331964-56-81(allylthio)4benzyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
331964568
4benzyl1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C=CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5
InChI=1SC21H20N4OS2c1212272123222024(13148435914)18(26)171510671116(15)2819(17)25(20)21h2589H1671013H2
MFCD01558893
ZINC000002254607
ZINC02254607
ZINC2254607
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