Vitas-M small molecule compound
6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-isoleucinate
Catalog ID
STK598577
SMILES CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CC)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 C25H26ClNO6 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO6/c1-4-15(3)23(27-25(30)31-14-16-9-7-6-8-10-16)24(29)33-21-13-20-18(12-19(21)26)17(5-2)11-22(28)32-20/h6-13,15,23H,4-5,14H2,1-3H3,(H,27,30)/t15-,23+/m1/s1InChIKey
SHWOFJFMOIEPLR-CMJOXMDJSA-NSynonyms
1014021-10-3(2S3R)6chloro4ethyl2oxo2Hchromen7yl2(((benzyloxy)carbonyl)amino)3methylpentanoate
(6chloro4ethyl2oxochromen7yl)(2S3R)3methyl2(phenylmethoxycarbonylamino)pentanoate
1014021103
6chloro4ethyl2oxo2Hchromen7ylN((benzyloxy)carbonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CC)NC(=O)OCc1ccccc1)C
CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3
InChI=1SC25H26ClNO6c1415(3)23(2725(30)31141697681016)24(29)3321132018(1219(21)26)17(52)1122(28)3220h6131523H4514H213H3(H2730)t1523+m1s1
MFCD18246091
ZINC000009487965
ZINC09487965
ZINC9487965
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