Vitas-M small molecule compound

4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-valinate

Catalog ID
STK716826
SMILES O=C(N[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)C(C)C)OCc1ccccc1

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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 C29H24F3NO7 MW 555.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24F3NO7/c1-17(2)23(33-28(36)37-16-18-9-5-3-6-10-18)27(35)39-20-13-14-21-22(15-20)40-26(29(30,31)32)25(24(21)34)38-19-11-7-4-8-12-19/h3-15,17,23H,16H2,1-2H3,(H,33,36)/t23-/m0/s1
InChIKey
XFAQEOYGKYMYNK-QHCPKHFHSA-N
Synonyms

(4OXO3PHENOXY2(TRIFLUOROMETHYL)CHROMEN7YL)(2S)3METHYL2(PHENYLMETHOXYCARBONYLAMINO)BUTANOATE
(R)4oxo3phenoxy2(trifluoromethyl)4Hchromen7yl2(((benzyloxy)carbonyl)amino)3methylbutanoate
4oxo3phenoxy2(trifluoromethyl)4Hchromen7ylN((benzyloxy)carbonyl)Lvalinate
CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI=1SC29H24F3NO7c117(2)23(3328(36)37161895361018)27(35)392013142122(1520)4026(29(3031)32)25(24(21)34)3819117481219h3151723H16H212H3(H3336)t23m0s1
MFCD13371539
O=C(N(C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)C(C)C)OCc1ccccc1
O=C(N(C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)C(C)C)OCc1ccccc1
ZINC000003471566
ZINC3471566

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Available files

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