Vitas-M small molecule compound
1,1'-{[2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]imino}dipropan-2-ol
Catalog ID
STL146245
SMILES CSc1nc(N(CC(O)C)CC(O)C)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)CC(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 C25H36N4O3S2 MW 504.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4O3S2/c1-13(2)8-18-17-12-32-25(5,6)9-16(17)19-20-21(34-23(19)26-18)22(28-24(27-20)33-7)29(10-14(3)30)11-15(4)31/h13-15,30-31H,8-12H2,1-7H3InChIKey
ZFHAEJSHNVZVMB-UHFFFAOYSA-NSynonyms
861651-21-011((22dimethyl5(2methylpropyl)10(methylsulfanyl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)imino)dipropan2ol
11((5isobutyl22dimethyl10(methylthio)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)azanediyl)bis(propan2ol)
861651210
CC(C)CC1=C2COC(CC2=C3C4=C(C(=NC(=N4)SC)N(CC(C)O)CC(C)O)SC3=N1)(C)C
InChI=1SC25H36N4O3S2c113(2)81817123225(56)916(17)192021(3423(19)2618)22(2824(2720)337)29(1014(3)30)1115(4)31h13153031H812H217H3
MFCD05686448
ZINC000009497238
ZINC000013805233
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