Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]leucine
Catalog ID
STL527409
SMILES CC(CC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=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 C29H44N2O6 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O6/c1-17(2)14-24(26(34)35)30-25(33)16-37-31-20-8-11-27(4)19(15-20)6-7-21-22(27)9-12-28(5)23(21)10-13-29(28,36)18(3)32/h15,17,21-24,36H,6-14,16H2,1-5H3,(H,30,33)(H,34,35)/b31-20+/t21?,22?,23?,24?,27-,28-,29-/m0/s1InChIKey
GVDSFIDVXKSALL-HSQRQFHUSA-NSynonyms
135639260
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4methylpentanoicacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4methylpentanoicacid
CC(CC(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(=O)C)C)C)C
InChI=1SC29H44N2O6c117(2)1424(26(34)35)3025(33)1637312081127(4)19(1520)672122(27)91228(5)23(21)101329(2836)18(3)32h1517212436H61416H215H3(H3033)(H3435)b3120+t21?22?23?24?272829m0s1
MFCD03660050
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)leucine
ZINC001772492240
ZINC001772492243
Check stock
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Check stock on Vitas-MAvailable files
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