Vitas-M small molecule compound
6-methyl-4-phenyl-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
STK996417
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3
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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/c1-3-12-27-21-23-22-20-24(14-9-5-4-6-10-14)18(26)17-16-13(2)8-7-11-15(16)28-19(17)25(20)21/h3-6,9-10,13H,1,7-8,11-12H2,2H3InChIKey
VJIFMVONSBPYDN-UHFFFAOYSA-NSynonyms
6methyl4phenyl1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC=C)N(C3=O)C5=CC=CC=C5
InChI=1SC21H20N4OS2c1312272123222024(1495461014)18(26)171613(2)871115(16)2819(17)25(20)21h3691013H1781112H22H3
MFCD02631197
ZINC000002898920
ZINC000002898921
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