Vitas-M small molecule compound
N-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-8-yl]methyl}phenylalanine
Catalog ID
STL566096
SMILES OC(=O)C(Cc1ccccc1)NCc1c(O)ccc2c1oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F
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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 C28H22F3NO7 MW 541.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F3NO7/c29-28(30,31)26-23(16-6-9-21-22(13-16)38-11-10-37-21)24(34)17-7-8-20(33)18(25(17)39-26)14-32-19(27(35)36)12-15-4-2-1-3-5-15/h1-9,13,19,32-33H,10-12,14H2,(H,35,36)InChIKey
WJBDIXJWKOWZDD-UHFFFAOYSA-NSynonyms
(S)2(((3(23dihydrobenzo(b)(14)dioxin6yl)7hydroxy4oxo2(trifluoromethyl)4Hchromen8yl)methyl)amino)3phenylpropanoicacid
2((3(23dihydro14benzodioxin6yl)7hydroxy4oxo2(trifluoromethyl)chromen8yl)methylamino)3phenylpropanoicacid
6104680
InChI=1SC28H22F3NO7c2928(3031)2623(16692122(1316)3811103721)24(34)177820(33)18(25(17)3926)143219(27(35)36)12154213515h1913193233H101214H2(H3536)
MFCD00532924
N((3(23dihydro14benzodioxin6yl)7hydroxy4oxo2(trifluoromethyl)4Hchromen8yl)methyl)phenylalanine
OC(=O)(C@H)(Cc1ccccc1)NCc1c(O)ccc2c1oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F
ZINC000002121387
ZINC000109364260
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