Vitas-M small molecule compound
6-methyl-4-phenyl-1-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530400
SMILES CC(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3)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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-12(2)27-21-23-22-20-24(14-9-5-4-6-10-14)18(26)17-16-13(3)8-7-11-15(16)28-19(17)25(20)21/h4-6,9-10,12-13H,7-8,11H2,1-3H3InChIKey
CIRNTHMRRLHFOY-UHFFFAOYSA-NSynonyms
1(isopropylthio)6methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
6methyl4phenyl1(propan2ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SC(C)C)N(C3=O)C5=CC=CC=C5
InChI=1SC21H22N4OS2c112(2)272123222024(1495461014)18(26)171613(3)871115(16)2819(17)25(20)21h469101213H7811H213H3
MFCD02236512
ZINC000001297099
ZINC000001297101
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