Vitas-M small molecule compound

N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanylnorvaline

Catalog ID
STL525195
SMILES CCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)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 C33H48N2O10 MW 632.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O10/c1-5-6-23(30(42)43)35-29(41)18(2)34-26(39)9-10-27(40)45-17-25(38)33(44)14-12-22-21-8-7-19-15-20(36)11-13-31(19,3)28(21)24(37)16-32(22,33)4/h15,18,21-24,28,37,44H,5-14,16-17H2,1-4H3,(H,34,39)(H,35,41)(H,42,43)/t18?,21?,22?,23?,24?,28?,
InChIKey
OSMRXGFGPXOGSO-RYHQZADLSA-N
Synonyms

2(2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoylamino)pentanoicacid
2(2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanamido)pentanoicacid
44661219
CCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=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)CC(C@)12C)C
InChI=1SC33H48N2O10c15623(30(42)43)3529(41)18(2)3426(39)91027(40)451725(38)33(44)1412222187191520(36)111331(193)28(21)24(37)1632(2233)4h15182124283744H5141617H214H3(H3439)(H3541)(H4243)t18?21?22?23?24?28?313233m0s1
MFCD02058890
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)alanylnorvaline
ZINC000253522729
ZINC000253522732

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Available files

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