Vitas-M small molecule compound
methyl N~2~-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-6-iminolysinate
Catalog ID
STL525972
SMILES COC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)CCCC(=N)N
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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 C30H44N4O5 MW 540.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N4O5/c1-5-30(37)16-13-23-21-10-9-19-17-20(11-14-28(19,2)22(21)12-15-29(23,30)3)34-39-18-26(35)33-24(27(36)38-4)7-6-8-25(31)32/h1,17,21-24,37H,6-16,18H2,2-4H3,(H3,31,32)(H,33,35)/b34-20-/t21?,22?,23?,24?,28-,29-,30+/m0/s1InChIKey
AJKMRZLROUQYQK-HOCVCQBSSA-NSynonyms
16396750
COC(=O)C(NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)CCCC(=N)N
InChI=1SC30H44N4O5c1530(37)16132321109191720(111428(192)22(21)121529(2330)3)34391826(35)3324(27(36)384)76825(31)32h117212437H61618H224H3(H33132)(H3335)b3420t21?22?23?24?282930+m0s1
methyl6amino2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)6iminohexanoate
methyl6amino2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)6iminohexanoate
methylN~2~(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)6iminolysinate
METHYLN2(((((3Z8XI9XI14XI)17HYDROXYPREGN4EN20YN3YLIDENE)AMINO)OXY)ACETYL)6IMINOLYSINATE
MFCD02058480
ZINC000008762532
ZINC000257372785
Check stock
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