Vitas-M small molecule compound

5-tert-butyl 1-[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl] N-(tert-butoxycarbonyl)glutamate

Catalog ID
STL578260
SMILES O=C(OC(C)(C)C)NC(C(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=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 C35H51NO10 MW 645.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H51NO10/c1-31(2,3)45-27(40)12-11-24(36-30(42)46-32(4,5)6)29(41)44-19-26(39)35(43)16-14-23-22-10-9-20-17-21(37)13-15-33(20,7)28(22)25(38)18-34(23,35)8/h13,15,17,22-25,28,38,43H,9-12,14,16,18-19H2,1-8H3,(H,36,42)/t22?,23?,24?,25?,28?,33-,34-,35-
InChIKey
GLKLJSVWXGAIGR-BTJVWJIKSA-N
Synonyms

5tertbutyl1((8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl)N(tertbutoxycarbonyl)glutamate
5tertbutyl1(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl)2((tertbutoxycarbonyl)amino)pentanedioate
O=C(OC(C)(C)C)NC(C(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C)CCC(=O)OC(C)(C)C

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Available files

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