Vitas-M small molecule compound
methyl N-{[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}tryptophanate
Catalog ID
STL532525
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O
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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 C30H35N3O6 MW 533.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O6/c1-37-29(35)24(14-20-16-31-23-8-3-2-6-21(20)23)32-27(34)17-33-13-12-30(36)11-5-4-7-22(30)28(33)19-9-10-25-26(15-19)39-18-38-25/h2-3,6,8-10,15-16,22,24,28,31,36H,4-5,7,11-14,17-18H2,1H3,(H,32,34)/t22-,24?,28-,30-/m0/s1InChIKey
HIHNMCOMSIMZIS-ZGEPFFIQSA-NSynonyms
16404622
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CN1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
InChI=1SC30H35N3O6c13729(35)24(1420163123832621(20)23)3227(34)1733131230(36)1154722(30)28(33)199102526(1519)39183825h23681015162224283136H45711141718H21H3(H3234)t2224?2830m0s1
methyl2((2((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)acetyl)amino)3(1~(H)indol3yl)propanoate
methyl2(2((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamido)3(1Hindol3yl)propanoate
methylN(((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetyl)tryptophanate
MFCD06767643
ZINC000070700797
ZINC000070700799
Check stock
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Check stock on Vitas-MAvailable files
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