Vitas-M small molecule compound

4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-(tert-butoxycarbonyl)-L-phenylalaninate

Catalog ID
STL460208
SMILES CCCc1cc2c(cc1OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)oc(=O)c1c2CCC1

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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-5-10-19-16-22-20-13-9-14-21(20)26(31)35-25(22)17-24(19)34-27(32)23(15-18-11-7-6-8-12-18)30-28(33)36-29(2,3)4/h6-8,11-12,16-17,23H,5,9-10,13-15H2,1-4H3,(H,30,33)/t23-/m0/s1
InChIKey
UUOHAELASRHNHO-QHCPKHFHSA-N
Synonyms

(4OXO8PROPYL23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)(2S)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)3PHENYLPROPANOATE
4oxo8propyl1234tetrahydrocyclopenta(c)chromen7yl2((tertbutoxycarbonyl)amino)3phenylpropanoate
4oxo8propyl1234tetrahydrocyclopenta(c)chromen7ylN(tertbutoxycarbonyl)Lphenylalaninate
CCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C
CCCc1cc2c(cc1OC(=O)(C@H)(Cc1ccccc1)NC(=O)OC(C)(C)C)oc(=O)c1c2CCC1
CCCc1cc2c(cc1OC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)oc(=O)c1c2CCC1
InChI=1SC29H33NO6c1510191622201391421(20)26(31)3525(22)1724(19)3427(32)23(1518117681218)3028(33)3629(23)4h681112161723H59101315H214H3(H3033)t23m0s1
ZINC000002124482
ZINC02124482
ZINC2124482

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Available files

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