Vitas-M small molecule compound

methyl N-{[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}tryptophanate

Catalog ID
STL530076
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC2(C(C1c1ccccc1OC)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 C30H37N3O5 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O5/c1-37-26-13-6-4-10-22(26)28-23-11-7-8-14-30(23,36)15-16-33(28)19-27(34)32-25(29(35)38-2)17-20-18-31-24-12-5-3-9-21(20)24/h3-6,9-10,12-13,18,23,25,28,31,36H,7-8,11,14-17,19H2,1-2H3,(H,32,34)
InChIKey
NAPQXLKGNVTDGM-UHFFFAOYSA-N
Synonyms

5146981
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CN1CCC2(C((C@@H)1c1ccccc1OC)CCCC2)O
InChI=1SC30H37N3O5c1372613641022(26)282311781430(2336)151633(28)1927(34)3225(29(35)382)17201831241253921(20)24h369101213182325283136H7811141719H212H3(H3234)
methyl2((2(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)acetyl)amino)3(1~(H)indol3yl)propanoate
methyl2(2((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)acetamido)3(1Hindol3yl)propanoate
methylN((4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)acetyl)tryptophanate
MFCD04144175
ZINC000002155677
ZINC001772492525

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Available files

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