Vitas-M small molecule compound

4-butyl-8-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-D-isoleucinate

Catalog ID
STL530231
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(=O)[C@@H]([C@H](CC)C)NC(=O)OC(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 C25H35NO6 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO6/c1-8-10-11-17-14-20(27)31-22-16(4)19(13-12-18(17)22)30-23(28)21(15(3)9-2)26-24(29)32-25(5,6)7/h12-15,21H,8-11H2,1-7H3,(H,26,29)/t15-,21+/m0/s1
InChIKey
NBKBKRNRMMGSCU-YCRPNKLZSA-N
Synonyms

(2S3R)4butyl8methyl2oxo2Hchromen7yl2((tertbutoxycarbonyl)amino)3methylpentanoate
(4butyl8methyl2oxochromen7yl)(2~(R)3~(S))3methyl2((2methylpropan2yl)oxycarbonylamino)pentanoate
4butyl8methyl2oxo2Hchromen7ylN(tertbutoxycarbonyl)Disoleucinate
6575854
CCCCc1cc(=O)oc2c1ccc(c2C)OC(=O)(C@H)((C@@H)(CC)C)NC(=O)OC(C)(C)C
InChI=1SC25H35NO6c181011171420(27)312216(4)19(131218(17)22)3023(28)21(15(3)92)2624(29)3225(56)7h121521H811H217H3(H2629)t1521+m0s1
ZINC000016031393

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Available files

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