Vitas-M small molecule compound
({[(3E,8xi,9xi,14xi)-17-(acetyloxy)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetic acid
Catalog ID
STL526816
SMILES OC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)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 C25H35NO6 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO6/c1-15(27)25(32-16(2)28)12-9-21-19-6-5-17-13-18(26-31-14-22(29)30)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-21H,5-12,14H2,1-4H3,(H,29,30)/b26-18+/t19?,20?,21?,23-,24-,25-/m0/s1InChIKey
NIJDYRWVCFKWIL-QMOZPQBTSA-NSynonyms
((((3E8xi9xi14xi)17(acetyloxy)20oxopregn4en3ylidene)amino)oxy)aceticacid
16397549
2((((10R13S17R)17acetoxy17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)aceticacid
2((~(E))((10~(R)13~(S)17~(R))17acetyl17acetyloxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyaceticacid
InChI=1SC25H35NO6c115(27)25(3216(2)28)129211965171318(26311422(29)30)71023(173)20(19)81124(2125)4h131921H51214H214H3(H2930)b2618+t19?20?21?232425m0s1
MFCD03006439
OC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(OC(=O)C)C(=O)C)C)C
ZINC000008964516
ZINC000257372841
Check stock
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