Vitas-M small molecule compound
1-{[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]oxy}pyrrolidine-2,5-dione
Catalog ID
STL547202
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)ON3C(=O)CCC3=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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-4-27(33)14-11-21-19-6-5-17-15-18(9-12-25(17,2)20(19)10-13-26(21,27)3)28-34-16-24(32)35-29-22(30)7-8-23(29)31/h1,15,19-21,33H,5-14,16H2,2-3H3/b28-18+/t19?,20?,21?,25-,26-,27+/m0/s1InChIKey
UTEUPAXBGATIDW-WMSIGFFRSA-NSynonyms
(25dioxopyrrolidin1yl)2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetate
1((((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)oxy)pyrrolidine25dione
16404858
25dioxopyrrolidin1yl2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetate
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)ON3C(=O)CCC3=O)CC(C@)12C
InChI=1SC27H34N2O6c1427(33)1411211965171518(91225(172)20(19)101326(2127)3)28341624(32)352922(30)7823(29)31h115192133H51416H223H3b2818+t19?20?21?252627+m0s1
MFCD06768279
ZINC000070701097
ZINC000070701103
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