Vitas-M small molecule compound
4-(4-methylphenyl)-1-[(2-phenylethyl)sulfanyl]-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK539546
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)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 C28H28N4O2S2 MW 516.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S2/c1-17(2)22-15-21-23(16-34-22)36-26-24(21)25(33)31(20-11-9-18(3)10-12-20)27-29-30-28(32(26)27)35-14-13-19-7-5-4-6-8-19/h4-12,17,22H,13-16H2,1-3H3InChIKey
HMIYSFNGAOWYPN-UHFFFAOYSA-NSynonyms
385387-81-5385387815
4(4methylphenyl)1((2phenylethyl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl1(phenethylthio)4(ptolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCC5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC28H28N4O2S2c117(2)22152123(163422)362624(21)25(33)31(2011918(3)101220)27293028(32(26)27)351413197546819h4121722H1316H213H3
MFCD03285532
ZINC000001812345
ZINC000001812346
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