Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,17xi)-16-methyl-20-oxo-3-{[3-(piperidinium-1-yl)propanoyl]oxy}pregn-5-ene
Catalog ID
STL553179
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)C)C1)C)CC[NH+]1CCCCC1
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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 C30H48NO3 MW 470.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H47NO3/c1-20-18-26-24-9-8-22-19-23(34-27(33)12-17-31-15-6-5-7-16-31)10-13-29(22,3)25(24)11-14-30(26,4)28(20)21(2)32/h8,20,23-26,28H,5-7,9-19H2,1-4H3/p+1/t20-,23?,24?,25?,26?,28?,29+,30+/m1/s1InChIKey
ZMZSWQGXOQDHQU-RJNDARJHSA-OSynonyms
((10~(R)13~(S)16~(R))17acetyl101316trimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3piperidin1ium1ylpropanoate
(8xi9xi14xi16alpha17xi)16methyl20oxo3((3(piperidinium1yl)propanoyl)oxy)pregn5ene
135640892
InChI=1SC30H47NO3c12018262498221923(3427(33)121731156571631)101329(223)25(24)111430(264)28(20)21(2)32h820232628H57919H214H3p+1t2023?24?25?26?28?29+30+m1s1
ZINC000009033987
ZINC000253504334
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