Vitas-M small molecule compound
4-(4-chlorophenyl)-7-methyl-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
STK555080
SMILES CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(nn3)SC(C)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 C21H21ClN4OS2 MW 445.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS2/c1-11(2)28-21-24-23-20-25(14-7-5-13(22)6-8-14)18(27)17-15-10-12(3)4-9-16(15)29-19(17)26(20)21/h5-8,11-12H,4,9-10H2,1-3H3InChIKey
ZASUWYAAGASVHQ-UHFFFAOYSA-NSynonyms
840499-13-04(4chlorophenyl)1(isopropylthio)7methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4chlorophenyl)7methyl1(propan2ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
840499130
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SC(C)C)N(C3=O)C5=CC=C(C=C5)Cl
InChI=1SC21H21ClN4OS2c111(2)282124232025(147513(22)6814)18(27)17151012(3)4916(15)2919(17)26(20)21h581112H4910H213H3
MFCD04008777
ZINC000008768541
ZINC000008768544
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