Vitas-M small molecule compound

7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-(tert-butoxycarbonyl)-L-tryptophanate

Catalog ID
STL462529
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)Cc1c[nH]c2c1cccc2

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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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-16-12-23-25(19-9-7-10-20(19)26(32)35-23)24(13-16)36-27(33)22(31-28(34)37-29(2,3)4)14-17-15-30-21-11-6-5-8-18(17)21/h5-6,8,11-13,15,22,30H,7,9-10,14H2,1-4H3,(H,31,34)/t22-/m0/s1
InChIKey
SHLZWDBCSMBUHD-QFIPXVFZSA-N
Synonyms
956158-87-5
(7METHYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN9YL)(2S)3(1HINDOL3YL)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
(S)7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl2((tertbutoxycarbonyl)amino)3(1Hindol3yl)propanoate
7methyl4oxo1234tetrahydrocyclopenta(c)chromen9ylN(tertbutoxycarbonyl)Ltryptophanate
956158875
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C
InChI=1SC29H30N2O6c116122325(19971020(19)26(32)3523)24(1316)3627(33)22(3128(34)3729(23)4)14171530211165818(17)21h5681113152230H791014H214H3(H3134)t22m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)Cc1c(nH)c2c1cccc2
ZINC000002093574
ZINC02093574
ZINC2093574

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.