Vitas-M small molecule compound
(8xi,14xi,17xi)-14-hydroxy-3-(nitrooxy)-19-oxocard-20(22)-enolide
Catalog ID
STL525034
SMILES O=C[C@]12CCC(CC1CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)O[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 C23H31NO7 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO7/c1-21-7-5-18-19(23(21,27)9-6-17(21)14-10-20(26)30-12-14)3-2-15-11-16(31-24(28)29)4-8-22(15,18)13-25/h10,13,15-19,27H,2-9,11-12H2,1H3/t15?,16?,17?,18-,19?,21+,22+,23?/m0/s1InChIKey
RJAUVGPQRJIERL-AMHVHLBSSA-NSynonyms
((9~(S)10~(R)13~(R))10formyl14hydroxy13methyl17(5oxo2~(H)furan3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)nitrate
(3S5R8R9S10R13R14S17R)10formyl14hydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3ylnitrate
(8xi14xi17xi)14hydroxy3(nitrooxy)19oxocard20(22)enolide
44667025
InChI=1SC23H31NO7c121751819(23(2127)9617(21)141020(26)301214)32151116(3124(28)29)4822(1518)1325h1013151927H291112H21H3t15?16?17?1819?21+22+23?m0s1
MFCD02058845
O=C(C@)12CC(C@@H)(C(C@H)1CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)O(N+)(=O)(O)
ZINC000253501680
ZINC000253501685
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