Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-hydroxy-2-{3-methoxy-4-[(phenoxycarbonyl)amino]phenyl}propanoate
Catalog ID
STK377948
SMILES COC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)NC(=O)Oc1ccccc1)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 C18H16F3NO6 MW 399.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3NO6/c1-26-14-10-11(17(25,15(23)27-2)18(19,20)21)8-9-13(14)22-16(24)28-12-6-4-3-5-7-12/h3-10,25H,1-2H3,(H,22,24)InChIKey
JHDMKHOPCAUVLU-UHFFFAOYSA-NSynonyms
BENZENEACETICACIDALPHAHYDROXY3METHOXY4((PHENOXYCARBONYL)AMINO)ALPHA(TRIFLUOROMETHYL)METHYLESTER
COC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)OC2=CC=CC=C2
InChI=1SC18H16F3NO6c126141011(17(2515(23)272)18(1920)21)8913(14)2216(24)28126435712h31025H12H3(H2224)
methyl333trifluoro2hydroxy2(3methoxy4((phenoxycarbonyl)amino)phenyl)propanoate
METHYL333TRIFLUORO2HYDROXY2(3METHOXY4(PHENOXYCARBONYLAMINO)PHENYL)PROPANOATE
MFCD01655560
ZINC000002274127
ZINC000002274128
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