Vitas-M small molecule compound

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

Catalog ID
STK829451
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NC(=O)OCc1ccccc1)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 C29H27NO7 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO7/c1-3-19(2)26(30-29(33)35-17-20-10-6-4-7-11-20)28(32)37-22-14-15-23-24(16-22)34-18-25(27(23)31)36-21-12-8-5-9-13-21/h4-16,18-19,26H,3,17H2,1-2H3,(H,30,33)/t19-,26+/m1/s1
InChIKey
JAOJZEDUSCGTKU-BCHFMIIMSA-N
Synonyms

(2R)4oxo3phenoxy4Hchromen7yl2(((benzyloxy)carbonyl)amino)3methylpentanoate
(4OXO3PHENOXYCHROMEN7YL)(2S3R)3METHYL2(PHENYLMETHOXYCARBONYLAMINO)PENTANOATE
4oxo3phenoxy4Hchromen7ylN((benzyloxy)carbonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NC(=O)OCc1ccccc1)C
CCC((C@H)(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NC(=O)OCc1ccccc1)C
CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI=1SC29H27NO7c1319(2)26(3029(33)351720106471120)28(32)372214152324(1622)341825(27(23)31)3621128591321h416181926H317H212H3(H3033)t1926+m1s1
MFCD18247006
ZINC000003471515
ZINC03471515
ZINC3471515

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Available files

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