Vitas-M small molecule compound
tert-butyl [(2S)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Catalog ID
STL547133
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC2(C(C1)CCCC2)O)Cc1cn(c2c1cccc2)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 C26H37N3O4 MW 455.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3O4/c1-25(2,3)33-24(31)27-21(15-18-16-28(4)22-11-6-5-10-20(18)22)23(30)29-14-13-26(32)12-8-7-9-19(26)17-29/h5-6,10-11,16,19,21,32H,7-9,12-15,17H2,1-4H3,(H,27,31)/t19?,21-,26?/m0/s1InChIKey
WZXSKDXMDFFNRP-AHRWMNNESA-NSynonyms
~(tert)butyl~(N)((2~(S))1(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(1methylindol3yl)1oxopropan2yl)carbamate
129894643
InChI=1SC26H37N3O4c125(23)3324(31)2721(15181628(4)2211651020(18)22)23(30)29141326(32)1287919(26)1729h56101116192132H79121517H214H3(H2731)t19?2126?m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)N1CCC2(C(C1)CCCC2)O)Cc1cn(c2c1cccc2)C
tertbutyl((2S)1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(1methyl1Hindol3yl)1oxopropan2yl)carbamate
ZINC000263586700
ZINC000524729013
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