Vitas-M small molecule compound
1-{[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]oxy}pyrrolidine-2,5-dione
Catalog ID
STL546190
SMILES O=C(ON1C(=O)CCC1=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C27H36N2O6 MW 484.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O6/c1-16(30)20-6-7-21-19-5-4-17-14-18(10-12-26(17,2)22(19)11-13-27(20,21)3)28-34-15-25(33)35-29-23(31)8-9-24(29)32/h14,19-22H,4-13,15H2,1-3H3/b28-18+/t19?,20?,21?,22?,26-,27+/m0/s1InChIKey
KNOFWHBRXRNINE-MVCJGCKYSA-NSynonyms
(25dioxopyrrolidin1yl)2((~(E))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetate
1((((((3E8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)oxy)pyrrolidine25dione
16404728
25dioxopyrrolidin1yl2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetate
InChI=1SC27H36N2O6c116(30)2067211954171418(101226(172)22(19)111327(2021)3)28341525(33)352923(31)8924(29)32h141922H41315H213H3b2818+t19?20?21?22?2627+m0s1
MFCD06767920
O=C(ON1C(=O)CCC1=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000070700918
ZINC000257372949
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