Vitas-M small molecule compound
1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK531049
SMILES COc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC(C3)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 C27H24N4O3S2 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S2/c1-16-8-13-20-22(14-16)36-25-23(20)24(33)30(18-6-4-3-5-7-18)26-28-29-27(31(25)26)35-15-21(32)17-9-11-19(34-2)12-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3InChIKey
BOUZAZKIGYJFJM-UHFFFAOYSA-NSynonyms
1((2(4methoxyphenyl)2oxoethyl)sulfanyl)8methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4methoxyphenyl)2oxoethyl)thio)8methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI=1SC27H24N4O3S2c1168132022(1416)362523(20)24(33)30(186435718)26282927(31(25)26)351521(32)1791119(342)121017h3791216H81315H212H3
MFCD02241982
ZINC000001774633
ZINC000001774636
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