Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanylnorleucine
Catalog ID
STL524480
SMILES CCCCC(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 C34H50N2O10 MW 646.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50N2O10/c1-5-6-7-24(31(43)44)36-30(42)19(2)35-27(40)10-11-28(41)46-18-26(39)34(45)15-13-23-22-9-8-20-16-21(37)12-14-32(20,3)29(22)25(38)17-33(23,34)4/h16,19,22-25,29,38,45H,5-15,17-18H2,1-4H3,(H,35,40)(H,36,42)(H,43,44)/t19?,22?,23?,24?,25?,2InChIKey
UPGNPFVWNGZMBG-KUTMBYJGSA-NSynonyms
135638948
2(2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoylamino)hexanoicacid
2(2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanamido)hexanoicacid
CCCCC(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=1SC34H50N2O10c156724(31(43)44)3630(42)19(2)3527(40)101128(41)461826(39)34(45)1513232298201621(37)121432(203)29(22)25(38)1733(2334)4h16192225293845H5151718H214H3(H3540)(H3642)(H4344)t19?22?23?24?25?29?323334m0s1
MFCD02057371
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)alanylnorleucine
ZINC001772491843
ZINC001772491850
Check stock
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