Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]isoleucine
Catalog ID
STL527509
SMILES CCC(C(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#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 C29H42N2O5 MW 498.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O5/c1-6-18(3)25(26(33)34)30-24(32)17-36-31-20-10-13-27(4)19(16-20)8-9-21-22(27)11-14-28(5)23(21)12-15-29(28,35)7-2/h2,16,18,21-23,25,35H,6,8-15,17H2,1,3-5H3,(H,30,32)(H,33,34)/b31-20+/t18?,21?,22?,23?,25?,27-,28-,29+/m0/s1InChIKey
INPMONBEAXDEKQ-MJCVPEHXSA-NSynonyms
135639277
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylpentanoicacid
2(2((((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(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)1CC(C@)2(O)C#C)C)C)C
InChI=1SC29H42N2O5c1618(3)25(26(33)34)3024(32)17363120101327(4)19(1620)892122(27)111428(5)23(21)121529(2835)72h2161821232535H681517H2135H3(H3032)(H3334)b3120+t18?21?22?23?25?272829+m0s1
MFCD03659834
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)isoleucine
ZINC001772492165
ZINC001772492168
Check stock
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Check stock on Vitas-MAvailable files
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