Vitas-M small molecule compound

3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-phenylalaninate

Catalog ID
STL464786
SMILES COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

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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 C31H29NO9 MW 559.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO9/c1-31(2,3)41-30(36)32-24(16-19-8-6-5-7-9-19)29(35)40-22-14-15-23-25(17-22)38-18-26(27(23)33)39-21-12-10-20(11-13-21)28(34)37-4/h5-15,17-18,24H,16H2,1-4H3,(H,32,36)/t24-/m0/s1
InChIKey
GUIXLSFKHXPFFO-DEOSSOPVSA-N
Synonyms

3(4(methoxycarbonyl)phenoxy)4oxo4Hchromen7ylN(tertbutoxycarbonyl)Lphenylalaninate
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)(C@H)(Cc1ccccc1)NC(=O)OC(C)(C)C
COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChI=1SC31H29NO9c131(23)4130(36)3224(16198657919)29(35)402214152325(1722)381826(27(23)33)3921121020(111321)28(34)374h515171824H16H214H3(H3236)t24m0s1
METHYL4((7(((2S)2(((TERTBUTOXY)CARBONYL)AMINO)3PHENYLPROPANOYL)OXY)4OXO4HCHROMEN3YL)OXY)BENZOATE
methyl4((7((2((tertbutoxycarbonyl)amino)3phenylpropanoyl)oxy)4oxo4Hchromen3yl)oxy)benzoate
methyl4(7((2S)2((2methylpropan2yl)oxycarbonylamino)3phenylpropanoyl)oxy4oxochromen3yl)oxybenzoate
MFCD02669384
ZINC000070665390
ZINC70665390

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Available files

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