Vitas-M small molecule compound

N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycylglycylglycyl-L-phenylalanine

Catalog ID
STL530295
SMILES O=C(NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)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 C32H34N4O9 MW 618.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O9/c1-17-19(3)44-25-13-26-23(12-22(17)25)18(2)21(32(43)45-26)9-10-27(37)33-14-28(38)34-15-29(39)35-16-30(40)36-24(31(41)42)11-20-7-5-4-6-8-20/h4-8,12-13,24H,9-11,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)(H,41,42)/t24-/m0/s1
InChIKey
AJVFWDZTLSYUKH-DEOSSOPVSA-N
Synonyms
956822-66-5
(2~(S))3phenyl2((2((2((2(3(235trimethyl7oxofuro(32g)chromen6yl)propanoylamino)acetyl)amino)acetyl)amino)acetyl)amino)propanoicacid
(S)2benzyl471013tetraoxo15(235trimethyl7oxo7Hfuro(32g)chromen6yl)36912tetraazapentadecan1oicacid
16405791
956822665
InChI=1SC32H34N4O9c11719(3)4425132623(1222(17)25)18(2)21(32(43)4526)91027(37)331428(38)341529(39)351630(40)3624(31(41)42)11207546820h48121324H9111416H213H3(H3337)(H3438)(H3539)(H3640)(H4142)t24m0s1
MFCD08002438
N(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)glycylglycylglycylLphenylalanine
O=C(NCC(=O)NCC(=O)N(C@H)(C(=O)O)Cc1ccccc1)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000070705715
ZINC70705715

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Available files

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