Vitas-M small molecule compound
tert-butyl (3S)-3-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK580280
SMILES O=C(Nc1ccc(cc1)C(C)C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-17(2)18-10-12-21(13-11-18)28-23(30)15-27-24(31)22-14-19-8-6-7-9-20(19)16-29(22)25(32)33-26(3,4)5/h6-13,17,22H,14-16H2,1-5H3,(H,27,31)(H,28,30)/t22-/m0/s1InChIKey
RKBIHAQWDWCBHC-QFIPXVFZSA-NSynonyms
1014021-02-3(S)tertbutyl3((2((4isopropylphenyl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014021023
CC(C)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC26H33N3O4c117(2)18101221(131118)2823(30)152724(31)221419867920(19)1629(22)25(32)3326(34)5h6131722H1416H215H3(H2731)(H2830)t22m0s1
MFCD06789737
O=C(Nc1ccc(cc1)C(C)C)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
tertbutyl(3S)3((2oxo2((4(propan2yl)phenyl)amino)ethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2oxo2(4propan2ylanilino)ethyl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009348441
ZINC09348441
ZINC9348441
Check stock
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Check stock on Vitas-MAvailable files
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