Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-tryptophanamide
Catalog ID
STL534641
SMILES O=C([C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2
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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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c34-28(24-13-18-5-1-2-6-19(18)16-31-24)33-25(14-20-17-30-23-8-4-3-7-22(20)23)29(35)32-21-9-10-26-27(15-21)37-12-11-36-26/h1-10,15,17,24-25,30-31H,11-14,16H2,(H,32,35)(H,33,34)/t24-,25-/m0/s1InChIKey
JKEUYSMJYKTNTJ-DQEYMECFSA-NSynonyms
(3~(S))~(N)((2~(S))1(23dihydro14benzodioxin6ylamino)3(1~(H)indol3yl)1oxopropan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((23dihydrobenzo(b)(14)dioxin6yl)amino)3(1Hindol3yl)1oxopropan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
16403756
InChI=1SC29H28N4O4c3428(241318512619(18)163124)3325(1420173023843722(20)23)29(35)32219102627(1521)3712113626h110151724253031H111416H2(H3235)(H3334)t2425m0s1
N(23dihydro14benzodioxin6yl)Nalpha((3S)1234tetrahydroisoquinolin3ylcarbonyl)Ltryptophanamide
O=C((C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@H)1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2Cl
ZINC000035485310
ZINC35485310
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