Vitas-M small molecule compound

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

Catalog ID
STK716828
SMILES CSCC[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)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 C29H24F3NO7S MW 587.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24F3NO7S/c1-41-15-14-22(33-28(36)37-17-18-8-4-2-5-9-18)27(35)39-20-12-13-21-23(16-20)40-26(29(30,31)32)25(24(21)34)38-19-10-6-3-7-11-19/h2-13,16,22H,14-15,17H2,1H3,(H,33,36)/t22-/m0/s1
InChIKey
QAAXCNSASLZPFZ-QFIPXVFZSA-N
Synonyms

(4oxo3phenoxy2(trifluoromethyl)chromen7yl)(2S)4methylsulfanyl2(phenylmethoxycarbonylamino)butanoate
(R)4oxo3phenoxy2(trifluoromethyl)4Hchromen7yl2(((benzyloxy)carbonyl)amino)4(methylthio)butanoate
4oxo3phenoxy2(trifluoromethyl)4Hchromen7ylN((benzyloxy)carbonyl)Lmethioninate
CSCC(C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)OCc1ccccc1
CSCC(C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)OCc1ccccc1
CSCCC(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=1SC29H24F3NO7Sc141151422(3328(36)3717188425918)27(35)392012132123(1620)4026(29(3031)32)25(24(21)34)3819106371119h2131622H141517H21H3(H3336)t22m0s1
MFCD13371541
ZINC000102574832
ZINC102574832

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.