Vitas-M small molecule compound
N-[({[(3E,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]isoleucine
Catalog ID
STL530551
SMILES CCC(C(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CCC2C(=O)C)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 C29H44N2O5 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O5/c1-6-17(2)26(27(34)35)30-25(33)16-36-31-20-11-13-28(4)19(15-20)7-8-21-23-10-9-22(18(3)32)29(23,5)14-12-24(21)28/h15,17,21-24,26H,6-14,16H2,1-5H3,(H,30,33)(H,34,35)/b31-20+/t17?,21-,22?,23?,24?,26?,28-,29+/m0/s1InChIKey
PLKXUFTWZZOUBY-DJIXLKNBSA-NSynonyms
135639392
2((2((~(E))((8~(S)10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylpentanoicacid
2(2((((8S9S10R13S14S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylpentanoicacid
CCC(C(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2C(=O)C)C)C)C
InChI=1SC29H44N2O5c1617(2)26(27(34)35)3025(33)16363120111328(4)19(1520)78212310922(18(3)32)29(235)141224(21)28h1517212426H61416H215H3(H3033)(H3435)b3120+t17?2122?23?24?26?2829+m0s1
N(((((3E9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)isoleucine
ZINC000008788851
ZINC001772492519
Check stock
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Check stock on Vitas-MAvailable files
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