Vitas-M small molecule compound
(8xi,14xi,17xi)-3,5,14-trihydroxy-19-(nitrooxy)card-20(22)-enolide
Catalog ID
STL524770
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)CO[N+](=O)[O-]
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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 C23H33NO8 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO8/c1-20-6-3-17-18(23(20,28)9-5-16(20)14-10-19(26)31-12-14)4-8-22(27)11-15(25)2-7-21(17,22)13-32-24(29)30/h10,15-18,25,27-28H,2-9,11-13H2,1H3/t15?,16?,17-,18?,20+,21-,22?,23?/m0/s1InChIKey
HCEPYGIKCDFDPJ-JSBILHAOSA-NSynonyms
((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren10yl)methylnitrate
((9~(S)10~(R)13~(R))3514trihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren10yl)methylnitrate
(8xi14xi17xi)3514trihydroxy19(nitrooxy)card20(22)enolide
135638979
InChI=1SC23H33NO8c120631718(23(2028)9516(20)141019(26)311214)4822(27)1115(25)2721(1722)133224(29)30h101518252728H291113H21H3t15?16?1718?20+2122?23?m0s1
MFCD01545804
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)CO(N+)(=O)(O)
ZINC001772491750
ZINC001772491753
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