Vitas-M small molecule compound

(3S)-N-[(2S)-1-oxo-3-phenyl-1-{[4-(propan-2-yl)phenyl]amino}propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK609111
SMILES O=C([C@H](Cc1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc(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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-19(2)21-12-14-24(15-13-21)30-28(33)26(16-20-8-4-3-5-9-20)31-27(32)25-17-22-10-6-7-11-23(22)18-29-25/h3-15,19,25-26,29H,16-18H2,1-2H3,(H,30,33)(H,31,32)/t25-,26-/m0/s1
InChIKey
WEPZKJIBAVSIRI-UIOOFZCWSA-N
Synonyms

(3S)N((2S)1oxo3phenyl1((4(propan2yl)phenyl)amino)propan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1oxo3phenyl1(4propan2ylanilino)propan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((4isopropylphenyl)amino)1oxo3phenylpropan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC(C)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC28H31N3O2c119(2)21121424(151321)3028(33)26(16208435920)3127(32)25172210671123(22)182925h31519252629H1618H212H3(H3033)(H3132)t2526m0s1
MFCD06777404
O=C((C@H)(Cc1ccccc1)NC(=O)(C@H)1NCc2c(C1)cccc2)Nc1ccc(cc1)C(C)C
O=C((C@H)(Cc1ccccc1)NC(=O)(C@H)1NCc2c(C1)cccc2)Nc1ccc(cc1)C(C)CCl
ZINC000035485622
ZINC35485622

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Available files

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