Vitas-M small molecule compound
4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Catalog ID
STK525141
SMILES O=C(OCc1ccccc1)NCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)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 C27H20F3NO7 MW 527.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3NO7/c28-27(29,30)25-24(37-18-9-5-2-6-10-18)23(33)20-12-11-19(15-21(20)38-25)36-22(32)13-14-31-26(34)35-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,31,34)InChIKey
KGNFODYEISLWMC-UHFFFAOYSA-NSynonyms
300849-52-9(4OXO3PHENOXY2(TRIFLUOROMETHYL)CHROMEN7YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
300849529
4oxo3phenoxy2(trifluoromethyl)4Hchromen7yl3(((benzyloxy)carbonyl)amino)propanoate
4oxo3phenoxy2(trifluoromethyl)4Hchromen7ylN((benzyloxy)carbonyl)betaalaninate
C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4
InChI=1SC27H20F3NO7c2827(2930)2524(371895261018)23(33)20121119(1521(20)3825)3622(32)13143126(34)3516177314817h11215H131416H2(H3134)
MFCD00532881
ZINC000001825052
ZINC01825052
ZINC1825052
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