Vitas-M small molecule compound

1-(4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-N-[4-(propan-2-yl)benzyl]piperidine-3-carboxamide

Catalog ID
STL097475
SMILES O=C(C1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)c1ccccc1)NCc1ccc(cc1)C(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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-18(2)20-12-10-19(11-13-20)15-29-26(33)22-9-6-14-32(16-22)28-30-24-23(21-7-4-3-5-8-21)17-35-25(24)27(34)31-28/h3-5,7-8,10-13,17-18,22H,6,9,14-16H2,1-2H3,(H,29,33)(H,30,31,34)
InChIKey
ILMDDVNAOLVNNO-UHFFFAOYSA-N
Synonyms
1242999-84-3
1(4oxo7phenyl1Hthieno(32d)pyrimidin2yl)N((4propan2ylphenyl)methyl)piperidine3carboxamide
1(4oxo7phenyl34dihydrothieno(32d)pyrimidin2yl)N(4(propan2yl)benzyl)piperidine3carboxamide
1242999843
CC(C)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC(=O)C4=C(N3)C(=CS4)C5=CC=CC=C5
InChI=1SC28H30N4O2Sc118(2)20121019(111320)152926(33)22961432(1622)28302423(217435821)173525(24)27(34)3128h35781013171822H691416H212H3(H2933)(H303134)
MFCD18789148
N(4ISOPROPYLBENZYL)1(4OXO7PHENYL34DIHYDROTHIENO(32D)PYRIMIDIN2YL)PIPERIDINE3CARBOXAMIDE
O=C(C1CCCN(C1)c1nc2c(csc2c(=O)(nH)1)c1ccccc1)NCc1ccc(cc1)C(C)C
ZINC000049421142
ZINC000049421143

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.