Vitas-M small molecule compound
(5alpha,8xi,9xi,14alpha,17alpha)-12,14-dihydroxy-3-[(pyridin-3-ylcarbonyl)oxy]card-20(22)-enolide
Catalog ID
STL564994
SMILES O=C1OCC(=C1)[C@@H]1CC[C@@]2([C@]1(C)C(O)CC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)c1cccnc1)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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-27-9-7-20(36-26(33)17-4-3-11-30-15-17)13-19(27)5-6-22-23(27)14-24(31)28(2)21(8-10-29(22,28)34)18-12-25(32)35-16-18/h3-4,11-12,15,19-24,31,34H,5-10,13-14,16H2,1-2H3/t19-,20?,21-,22?,23?,24?,27-,28-,29+/m0/s1InChIKey
HUSLZZQHERKPKL-CWBIZZTHSA-NSynonyms
((5S10S13S14R17S)1214dihydroxy1013dimethyl17(5oxo2Hfuran3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)pyridine3carboxylate
(5alpha8xi9xi14alpha17alpha)1214dihydroxy3((pyridin3ylcarbonyl)oxy)card20(22)enolide
(5S10S13S14R17S)1214dihydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3ylnicotinate
16398482
InChI=1SC29H37NO6c1279720(3626(33)174311301517)1319(27)562223(27)1424(31)28(2)21(81029(2228)34)181225(32)351618h3411121519243134H510131416H212H3t1920?2122?23?24?272829+m0s1
O=C1OCC(=C1)(C@@H)1CC(C@@)2((C@)1(C)C(O)CC1C2CC(C@@H)2(C@)1(C)CCC(C2)OC(=O)c1cccnc1)O
ZINC000008743566
ZINC000253498173
Check stock
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