Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl pyridine-3-carboxylate
Catalog ID
STK753227
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1cccnc1)C)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 C33H49NO2 MW 491.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49NO2/c1-22(2)8-6-9-23(3)28-13-14-29-27-12-11-25-20-26(36-31(35)24-10-7-19-34-21-24)15-17-32(25,4)30(27)16-18-33(28,29)5/h7,10-11,19,21-23,26-30H,6,8-9,12-18,20H2,1-5H3/t23?,26?,27?,28?,29?,30?,32-,33+/m0/s1InChIKey
QNCSSTYPDRITJP-IYOFWGATSA-NSynonyms
((10R13R)1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)pyridine3carboxylate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylnicotinate
(8XI9XI14XI17XI20XI)CHOLEST5EN3YLPYRIDINE3CARBOXYLATE
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CN=CC=C5)C)C
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1cccnc1)C)C
CC(CCCC(C1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)c1cccnc1)C)C
InChI=1SC33H49NO2c122(2)86923(3)28131429271211252026(3631(35)2410719342124)151732(254)30(27)161833(2829)5h710111921232630H689121820H215H3t23?26?27?28?29?30?3233+m0s1
MFCD00822873
ZINC000003108472
ZINC000254294902
Check stock
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