Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(3-methylphenyl)-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
STK538933
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n(c1=O)c1cccc(c1)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 C27H26N4O2S2 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S2/c1-16(2)21-13-20-22(14-33-21)35-25-23(20)24(32)30(19-11-7-8-17(3)12-19)26-28-29-27(31(25)26)34-15-18-9-5-4-6-10-18/h4-12,16,21H,13-15H2,1-3H3InChIKey
LYETXLIQBWSIIN-UHFFFAOYSA-NSynonyms
371223-33-51(benzylsulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)7isopropyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
371223335
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC27H26N4O2S2c116(2)21132022(143321)352523(20)24(32)30(19117817(3)1219)26282927(31(25)26)34151895461018h4121621H1315H213H3
MFCD03010327
ZINC000001836323
ZINC000001836324
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