Vitas-M small molecule compound
7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-(tert-butoxycarbonyl)-L-phenylalaninate
Catalog ID
STL462528
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)Cc1ccccc1
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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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-16-13-21-23(18-11-8-12-19(18)24(29)32-21)22(14-16)33-25(30)20(15-17-9-6-5-7-10-17)28-26(31)34-27(2,3)4/h5-7,9-10,13-14,20H,8,11-12,15H2,1-4H3,(H,28,31)/t20-/m0/s1InChIKey
FWRBKMCMKUARQS-FQEVSTJZSA-NSynonyms
956385-23-2(7METHYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN9YL)(2S)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)3PHENYLPROPANOATE
(S)7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl2((tertbutoxycarbonyl)amino)3phenylpropanoate
7methyl4oxo1234tetrahydrocyclopenta(c)chromen9ylN(tertbutoxycarbonyl)Lphenylalaninate
956385232
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C
InChI=1SC27H29NO6c116132123(181181219(18)24(29)3221)22(1416)3325(30)20(151796571017)2826(31)3427(23)4h57910131420H8111215H214H3(H2831)t20m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)Cc1ccccc1
ZINC000002148972
ZINC02148972
ZINC2148972
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