Vitas-M small molecule compound

4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-isoleucinate

Catalog ID
STK717869
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)OC(C)(C)C)C

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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 C27H28F3NO7 MW 535.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F3NO7/c1-6-15(2)20(31-25(34)38-26(3,4)5)24(33)36-17-12-13-18-19(14-17)37-23(27(28,29)30)22(21(18)32)35-16-10-8-7-9-11-16/h7-15,20H,6H2,1-5H3,(H,31,34)/t15-,20+/m1/s1
InChIKey
WGBLRYKHUYIBRP-QRWLVFNGSA-N
Synonyms

(2R)4oxo3phenoxy2(trifluoromethyl)4Hchromen7yl2((tertbutoxycarbonyl)amino)3methylpentanoate
(4OXO3PHENOXY2(TRIFLUOROMETHYL)CHROMEN7YL)(2S3R)3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PENTANOATE
4oxo3phenoxy2(trifluoromethyl)4Hchromen7ylN(tertbutoxycarbonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)OC(C)(C)C)C
CCC((C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)NC(=O)OC(C)(C)C)C
CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI=1SC27H28F3NO7c1615(2)20(3125(34)3826(34)5)24(33)361712131819(1417)3723(27(2829)30)22(21(18)32)3516108791116h71520H6H215H3(H3134)t1520+m1s1
MFCD13371600
ZINC000100917190
ZINC100917190

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Available files

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