Vitas-M small molecule compound
(3beta,5alpha,8xi,9xi,14alpha,17alpha)-5,14-dihydroxy-19-oxo-3-[(pyridin-3-ylcarbonyl)oxy]card-20(22)-enolide
Catalog ID
STL525424
SMILES O=C[C@@]12CC[C@@H](C[C@]2(O)CCC2C1CC[C@]1([C@@]2(O)CC[C@H]1C1=CC(=O)OC1)C)OC(=O)c1cccnc1
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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 C29H35NO7 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO7/c1-26-8-5-22-23(29(26,35)11-7-21(26)19-13-24(32)36-16-19)6-10-28(34)14-20(4-9-27(22,28)17-31)37-25(33)18-3-2-12-30-15-18/h2-3,12-13,15,17,20-23,34-35H,4-11,14,16H2,1H3/t20-,21-,22?,23?,26+,27-,28+,29+/m0/s1InChIKey
KZDOGGYMASNQGM-AJXWCUDTSA-NSynonyms
((3~(S)5~(R)10~(S)13~(R)14~(R)17~(S))10formyl514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)pyridine3carboxylate
(3beta5alpha8xi9xi14alpha17alpha)514dihydroxy19oxo3((pyridin3ylcarbonyl)oxy)card20(22)enolide
(3S5S8R9S10S13R14S17R)10formyl514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3ylnicotinate
135639056
InChI=1SC29H35NO7c126852223(29(2635)11721(26)191324(32)361619)61028(34)1420(4927(2228)1731)3725(33)183212301518h231213151720233435H4111416H21H3t202122?23?26+2728+29+m0s1
MFCD01549342
O=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC(=O)c1cccnc1
ZINC001772491922
ZINC001772491929
Check stock
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Check stock on Vitas-MAvailable files
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