Vitas-M small molecule compound
4-benzyl-1-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]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
STK538749
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(nnc2n(c1=O)Cc1ccccc1)SC(C(=O)N1CCCCC1)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 C28H33N5O3S2 MW 551.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O3S2/c1-17(2)21-14-20-22(16-36-21)38-26-23(20)25(35)32(15-19-10-6-4-7-11-19)27-29-30-28(33(26)27)37-18(3)24(34)31-12-8-5-9-13-31/h4,6-7,10-11,17-18,21H,5,8-9,12-16H2,1-3H3InChIKey
NUNXEPSABFNINI-UHFFFAOYSA-NSynonyms
4benzyl1((1oxo1(piperidin1yl)propan2yl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl7isopropyl1((1oxo1(piperidin1yl)propan2yl)thio)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)N5CCCCC5)CC6=CC=CC=C6
InChI=1SC28H33N5O3S2c117(2)21142022(163621)382623(20)25(35)32(1519106471119)27293028(33(26)27)3718(3)24(34)31128591331h4671011171821H5891216H213H3
MFCD03008955
ZINC000001308223
ZINC000001308226
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