Vitas-M small molecule compound
4-(4-methoxyphenyl)-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
STK805085
SMILES CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-3-12-28-21-23-22-20-24(13-8-10-14(27-2)11-9-13)18(26)17-15-6-4-5-7-16(15)29-19(17)25(20)21/h8-11H,3-7,12H2,1-2H3InChIKey
FIKQKUKWXQLWHT-UHFFFAOYSA-NSynonyms
332393-13-2332393132
4(4methoxyphenyl)1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4methoxyphenyl)1(propylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC21H22N4O2S2c1312282123222024(1381014(272)11913)18(26)1715645716(15)2919(17)25(20)21h811H3712H212H3
MFCD01880141
ZINC000002275544
ZINC02275544
ZINC2275544
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