Vitas-M small molecule compound

N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]alanylnorvaline

Catalog ID
STL526258
SMILES CCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C29H45N3O6 MW 531.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45N3O6/c1-5-6-23(27(36)37)31-26(35)17(2)30-25(34)16-38-32-19-11-13-28(3)18(15-19)7-8-20-21-9-10-24(33)29(21,4)14-12-22(20)28/h15,17,20-24,33H,5-14,16H2,1-4H3,(H,30,34)(H,31,35)(H,36,37)/b32-19+/t17?,20?,21?,22?,23?,24?,28-,29-/m0/s1
InChIKey
AOAPAYABMHKKSZ-RVUOGXOYSA-N
Synonyms

135639145
2(2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoylamino)pentanoicacid
2(2(2(((E)((8R9S10R13S14S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanamido)pentanoicacid
CCCC(C(=O)O)NC(=O)C(NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@H)2O)C)C)C
InChI=1SC29H45N3O6c15623(27(36)37)3126(35)17(2)3025(34)16383219111328(3)18(1519)78202191024(33)29(214)141222(20)28h1517202433H51416H214H3(H3034)(H3135)(H3637)b3219+t17?20?21?22?23?24?2829m0s1
MFCD02925213
N(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)alanylnorvaline
ZINC001772491994
ZINC001772491997

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Available files

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