Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-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
STK543763
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccc(cc3)Cl)nnc2n(c1=O)CCc1ccccc1)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 C29H27ClN4O3S2 MW 579.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O3S2/c1-17(2)23-14-21-24(15-37-23)39-27-25(21)26(36)33(13-12-18-6-4-3-5-7-18)28-31-32-29(34(27)28)38-16-22(35)19-8-10-20(30)11-9-19/h3-11,17,23H,12-16H2,1-2H3InChIKey
PSOWBVVTQFORMH-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(2phenylethyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)7isopropyl4phenethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)CCC6=CC=CC=C6
InChI=1SC29H27ClN4O3S2c117(2)23142124(153723)392725(21)26(36)33(1312186435718)28313229(34(27)28)381622(35)1981020(30)11919h3111723H1216H212H3
MFCD03295544
ZINC000001898608
ZINC000001898609
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