Vitas-M small molecule compound
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [1-(4-ethyl-phenylcarbamoyl)-2-methyl-butyl]-amide
Catalog ID
STK596237
SMILES CCC([C@@H](C(=O)Nc1ccc(cc1)CC)NC(=O)[C@H]1NCc2c(C1)cccc2)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 C24H31N3O2 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2/c1-4-16(3)22(24(29)26-20-12-10-17(5-2)11-13-20)27-23(28)21-14-18-8-6-7-9-19(18)15-25-21/h6-13,16,21-22,25H,4-5,14-15H2,1-3H3,(H,26,29)(H,27,28)/t16?,21-,22-/m0/s1InChIKey
SEICFKQJPDFDPF-LALCZMHNSA-NSynonyms
(3S)N((2S)1(4ethylanilino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((2S3R)1((4ethylphenyl)amino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CCC((C@@H)(C(=O)Nc1ccc(cc1)CC)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CCC((C@@H)(C(=O)Nc1ccc(cc1)CC)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CCC1=CC=C(C=C1)NC(=O)C(C(C)CC)NC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC24H31N3O2c1416(3)22(24(29)2620121017(52)111320)2723(28)211418867919(18)152521h61316212225H451415H213H3(H2629)(H2728)t16?2122m0s1
MFCD06773683
ZINC000035349304
ZINC000035485497
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