Vitas-M small molecule compound

tert-butyl (3S)-3-{[4-(propan-2-yl)phenyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK580461
SMILES O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)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 C24H30N2O3 MW 394.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O3/c1-16(2)17-10-12-20(13-11-17)25-22(27)21-14-18-8-6-7-9-19(18)15-26(21)23(28)29-24(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,25,27)/t21-/m0/s1
InChIKey
QVOFZWZQBPOPPB-NRFANRHFSA-N
Synonyms
1173675-63-2
(S)tertbutyl3((4isopropylphenyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173675632
CC(C)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC24H30N2O3c116(2)17101220(131117)2522(27)211418867919(18)1526(21)23(28)2924(34)5h6131621H1415H215H3(H2527)t21m0s1
MFCD06789439
O=C((C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc(cc1)C(C)C
tertbutyl(3S)3((4(propan2yl)phenyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
TERTBUTYL(3S)3((4PROPAN2YLPHENYL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
ZINC000005347192
ZINC05347192
ZINC5347192

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Available files

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