Vitas-M small molecule compound
1-[5-(1H-benzimidazol-2-yl)pentyl]-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Catalog ID
STL235175
SMILES S=c1nc(c2ccccc2)n(c2c1COC(C2)(C)C)CCCCCc1nc2c([nH]1)cccc2
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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 C27H30N4OS MW 458.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14H,4,7,10,15-18H2,1-2H3,(H,28,29)InChIKey
OIYYADZOIJZFCS-UHFFFAOYSA-NSynonyms
861651-27-61(5(1Hbenzimidazol2yl)pentyl)77dimethyl2phenyl1578tetrahydro4Hpyrano(43d)pyrimidine4thione
1(5(1HBENZIMIDAZOL2YL)PENTYL)77DIMETHYL2PHENYL58DIHYDROPYRANO(43D)PYRIMIDINE4THIONE
1(5(1Hbenzo(d)imidazol2yl)pentyl)77dimethyl2phenyl78dihydro1Hpyrano(43d)pyrimidine4(5H)thione
861651276
CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C
InChI=1SC27H30N4OSc127(2)172320(183227)26(33)3025(19115361219)31(23)1610471524282113891422(21)2924h356891114H47101518H212H3(H2829)
MFCD05686454
S=c1nc(c2ccccc2)n(c2c1COC(C2)(C)C)CCCCCc1nc2c((nH)1)cccc2
ZINC000009308521
ZINC09308521
ZINC9308521
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