Vitas-M small molecule compound
4-(4-methylphenyl)-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
STK721039
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(nnc2n(c1=O)c1ccc(cc1)C)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/c1-16(2)21-14-20-22(15-36-21)38-26-23(20)25(35)32(19-10-8-17(3)9-11-19)27-29-30-28(33(26)27)37-18(4)24(34)31-12-6-5-7-13-31/h8-11,16,18,21H,5-7,12-15H2,1-4H3InChIKey
JLKPDKXSKORKKC-UHFFFAOYSA-NSynonyms
4(4methylphenyl)1((1oxo1(piperidin1yl)propan2yl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl1((1oxo1(piperidin1yl)propan2yl)thio)4(ptolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)N5CCCCC5)SC6=C3CC(OC6)C(C)C
InChI=1SC28H33N5O3S2c116(2)21142022(153621)382623(20)25(35)32(1910817(3)91119)27293028(33(26)27)3718(4)24(34)31126571331h811161821H571215H214H3
MFCD03285134
ZINC000001244679
ZINC000100059343
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