Vitas-M small molecule compound
({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetic acid
Catalog ID
STL525978
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)O)/CC[C@]12C
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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 C23H33NO7 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO7/c1-21-7-5-14(24-31-12-19(28)29)9-13(21)3-4-15-16-6-8-23(30,18(27)11-25)22(16,2)10-17(26)20(15)21/h9,15-17,20,25-26,30H,3-8,10-12H2,1-2H3,(H,28,29)/b24-14-/t15?,16?,17?,20?,21-,22-,23-/m0/s1InChIKey
WXAWNCDYPXVODT-LJZBBQAYSA-NSynonyms
((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)aceticacid
16396206
2(((Z)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)aceticacid
2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyaceticacid
InChI=1SC23H33NO7c1217514(24311219(28)29)913(21)3415166823(3018(27)1125)22(162)1017(26)20(15)21h9151720252630H381012H212H3(H2829)b2414t15?16?17?20?212223m0s1
MFCD01548156
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)O)CC(C@)12C
ZINC000252695240
ZINC000253500120
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