Vitas-M small molecule compound

tert-butyl (3S)-3-{[2-(cyclohexylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK599408
SMILES O=C(NC1CCCCC1)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 C23H33N3O4 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-17-10-8-7-9-16(17)13-19(26)21(28)24-14-20(27)25-18-11-5-4-6-12-18/h7-10,18-19H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKey
VSMRXFWCKWVPOF-IBGZPJMESA-N
Synonyms
1173682-96-6
(S)tertbutyl3((2(cyclohexylamino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173682966
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3CCCCC3
InChI=1SC23H33N3O4c123(23)3022(29)2615171087916(17)1319(26)21(28)241420(27)2518115461218h7101819H461115H213H3(H2428)(H2527)t19m0s1
MFCD06778423
O=C(NC1CCCCC1)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
tertbutyl(3S)3((2(cyclohexylamino)2oxoethyl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3((2(cyclohexylamino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000005302077
ZINC05302077
ZINC5302077

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Available files

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