Vitas-M small molecule compound
Nalpha-(tert-butoxycarbonyl)-1-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-L-tryptophanamide
Catalog ID
STL548248
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)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 C27H40N4O3 MW 468.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O3/c1-27(2,3)34-26(33)29-22(16-20-18-30(4)24-13-6-5-11-21(20)24)25(32)28-17-19-10-9-15-31-14-8-7-12-23(19)31/h5-6,11,13,18-19,22-23H,7-10,12,14-17H2,1-4H3,(H,28,32)(H,29,33)/t19-,22-,23+/m0/s1InChIKey
SXHHXXYJMRWQLL-AJSBUHFISA-NSynonyms
~(tert)butyl~(N)((2~(S))1(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylamino)3(1methylindol3yl)1oxopropan2yl)carbamate
121542134
InChI=1SC27H40N4O3c127(23)3426(33)2922(16201830(4)2413651121(20)24)25(32)281719109153114871223(19)31h56111318192223H710121417H214H3(H2832)(H2933)t192223+m0s1
Nalpha(tertbutoxycarbonyl)1methylN((1S9aR)octahydro2Hquinolizin1ylmethyl)Ltryptophanamide
O=C(OC(C)(C)C)N(C@H)(C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2)Cc1cn(c2c1cccc2)C
tertbutyl((S)3(1methyl1Hindol3yl)1((((1S9aR)octahydro1Hquinolizin1yl)methyl)amino)1oxopropan2yl)carbamate
ZINC000263586359
ZINC263586359
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