Vitas-M small molecule compound
4-(2-methylphenyl)-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532268
SMILES CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-3-12-27-21-23-22-20-24(15-10-6-4-8-13(15)2)18(26)17-14-9-5-7-11-16(14)28-19(17)25(20)21/h4,6,8,10H,3,5,7,9,11-12H2,1-2H3InChIKey
QVQOIFLYYIXWDE-UHFFFAOYSA-NSynonyms
1(propylthio)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(2methylphenyl)1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5C
InChI=1SC21H22N4OS2c1312272123222024(151064813(15)2)18(26)17149571116(14)2819(17)25(20)21h46810H35791112H212H3
MFCD02987506
ZINC000002375134
ZINC02375134
ZINC2375134
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