Vitas-M small molecule compound
(9S,10R,13R,17R)-10-cyano-5,14-dihydroxy-13-methyl-17-((S)-5-oxo-2,5-dihydrofuran-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Catalog ID
STL524414
SMILES N#C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1C=CC(=O)O1)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 C25H33NO6 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO6/c1-15(27)31-16-5-10-23(14-26)17-6-9-22(2)19(20-3-4-21(28)32-20)8-12-25(22,30)18(17)7-11-24(23,29)13-16/h3-4,16-20,29-30H,5-13H2,1-2H3/t16?,17-,18?,19-,20?,22+,23-,24?,25?/m0/s1InChIKey
SHENECVDVUHQOP-KXAJBXPLSA-NSynonyms
((9~(S)10~(R)13~(R)17~(R))10cyano514dihydroxy13methyl17(5oxo2~(H)furan2yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(3S5S9S10R13R14S17R)10cyano514dihydroxy13methyl17((S)5oxo25dihydrofuran2yl)hexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
16396239
InChI=1SC25H33NO6c115(27)311651023(1426)176922(2)19(203421(28)3220)81225(2230)18(17)71124(2329)1316h3416202930H513H212H3t16?1718?1920?22+2324?25?m0s1
MFCD32649789
N#C(C@@)12CC(C@@H)(C(C@@)2(O)CCC2(C@@H)1CC(C@)1((C@)2(O)CC(C@H)1C1C=CC(=O)O1)C)OC(=O)C
ZINC000008740224
ZINC000253981769
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