Vitas-M small molecule compound

tert-butyl (3S)-3-[(2-methoxybenzyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK573485
SMILES COc1ccccc1CNC(=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 C23H28N2O4 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-15-18-11-6-5-9-16(18)13-19(25)21(26)24-14-17-10-7-8-12-20(17)28-4/h5-12,19H,13-15H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKey
WEEOBBLYHLVULG-IBGZPJMESA-N
Synonyms
1173687-06-3
(S)tertbutyl3((2methoxybenzyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173687063
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3OC
COc1ccccc1CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC23H28N2O4c123(23)2922(27)2515181165916(18)1319(25)21(26)24141710781220(17)284h51219H1315H214H3(H2426)t19m0s1
MFCD06777345
tertbutyl(3S)3((2methoxybenzyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2methoxyphenyl)methylcarbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000005270086
ZINC05270086
ZINC5270086

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Available files

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