Vitas-M small molecule compound
N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-phenylalanine
Catalog ID
STL531618
SMILES O=C(N[C@H](C(=O)O)Cc1ccccc1)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O
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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 C27H21NO8 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO8/c29-25(28-20(27(31)32)10-16-4-2-1-3-5-16)14-33-18-7-8-19-22(13-18)36-24(26(19)30)12-17-6-9-21-23(11-17)35-15-34-21/h1-9,11-13,20H,10,14-15H2,(H,28,29)(H,31,32)/b24-12-/t20-/m0/s1InChIKey
KMSZAKXJAWDHMK-QMFCMINHSA-NSynonyms
956827-48-8(2~(S))2((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3phenylpropanoicacid
(RZ)2(2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3phenylpropanoicacid
16405155
956827488
InChI=1SC27H21NO8c2925(2820(27(31)32)10164213516)143318781922(1318)3624(26(19)30)1217692123(1117)35153421h19111320H101415H2(H2829)(H3132)b2412t20m0s1
N((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lphenylalanine
O=C(N(C@@H)(C(=O)O)Cc1ccccc1)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000008791310
ZINC8791310
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