Vitas-M small molecule compound

6-hydroxy-2-({2-oxo-2-[2-(pyridin-3-yl)piperidin-1-yl]ethyl}sulfanyl)-5-[(2E)-3-phenylprop-2-en-1-yl]pyrimidin-4(3H)-one

Catalog ID
STL351305
SMILES O=C(N1CCCCC1c1cccnc1)CSc1nc(O)c(c(=O)[nH]1)C/C=C/c1ccccc1

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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c30-22(29-15-5-4-13-21(29)19-11-7-14-26-16-19)17-33-25-27-23(31)20(24(32)28-25)12-6-10-18-8-2-1-3-9-18/h1-3,6-11,14,16,21H,4-5,12-13,15,17H2,(H2,27,28,31,32)/b10-6+
InChIKey
ZSKDKJXEFYJUNZ-UXBLZVDNSA-N
Synonyms

(S)5cinnamyl6hydroxy2((2oxo2(2(pyridin3yl)piperidin1yl)ethyl)thio)pyrimidin4(3H)one
4hydroxy2(2oxo2(2pyridin3ylpiperidin1yl)ethyl)sulfanyl5((E)3phenylprop2enyl)1Hpyrimidin6one
6hydroxy2((2oxo2(2(pyridin3yl)piperidin1yl)ethyl)sulfanyl)5((2E)3phenylprop2en1yl)pyrimidin4(3H)one
C1CCN(C(C1)C2=CN=CC=C2)C(=O)CSC3=NC(=C(C(=O)N3)CC=CC4=CC=CC=C4)O
InChI=1SC25H26N4O3Sc3022(2915541321(29)1911714261619)1733252723(31)20(24(32)2825)12610188213918h13611141621H4512131517H2(H227283132)b106+
MFCD01844821
O=C(N1CCCC(C@H)1c1cccnc1)CSc1nc(O)c(c(=O)(nH)1)CC=Cc1ccccc1
O=C(N1CCCCC1c1cccnc1)CSc1nc(O)c(c(=O)(nH)1)CC=Cc1ccccc1
ZINC000012322877

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Available files

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