Vitas-M small molecule compound

(11alpha,17beta)-17-ethynyl-4-nitro-11-(nitrooxy)estra-1,3,5(10)-triene-3,17-diyl diacetate

Catalog ID
STK683290
SMILES C#C[C@@]1(CC[C@@H]2[C@]1(C)C[C@@H](O[N+](=O)[O-])[C@H]1[C@H]2CCc2c1ccc(c2[N+](=O)[O-])OC(=O)C)OC(=O)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 C24H26N2O9 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O9/c1-5-24(34-14(3)28)11-10-18-17-7-6-16-15(8-9-19(33-13(2)27)22(16)25(29)30)21(17)20(35-26(31)32)12-23(18,24)4/h1,8-9,17-18,20-21H,6-7,10-12H2,2-4H3/t17-,18-,20+,21+,23-,24-/m0/s1
InChIKey
KHIFRVUISMZXPR-FLEYZCCHSA-N
Synonyms

((8S9S11R13S14S17R)17acetyloxy17ethynyl13methyl4nitro11nitrooxy7891112141516octahydro6Hcyclopenta(a)phenanthren3yl)acetate
(11alpha17beta)17ethynyl4nitro11(nitrooxy)estra135(10)triene317diyldiacetate
C#C(C@@)1(CC(C@@H)2(C@)1(C)C(C@@H)(O(N+)(=O)(O))(C@H)1(C@H)2CCc2c1ccc(c2(N+)(=O)(O))OC(=O)C)OC(=O)C
CC(=O)OC1=C(C2=C(C=C1)C3C(CC2)C4CCC(C4(CC3O(N+)(=O)(O))C)(C#C)OC(=O)C)(N+)(=O)(O)
InChI=1SC24H26N2O9c1524(3414(3)28)11101817761615(8919(3313(2)27)22(16)25(29)30)21(17)20(3526(31)32)1223(1824)4h18917182021H671012H224H3t171820+21+2324m0s1
MFCD18246912
ZINC000012364651
ZINC12364651

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Available files

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