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Vitas-M small molecule compound

(8xi,9xi,14xi,17xi,20xi)-23-ethylcholest-5-en-3-yl pyridine-3-carboxylate

Catalog ID
STK752024
SMILES CCC(CC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1cccnc1)C)CC(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 C35H53NO2 MW 519.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H53NO2/c1-7-25(19-23(2)3)20-24(4)30-12-13-31-29-11-10-27-21-28(38-33(37)26-9-8-18-36-22-26)14-16-34(27,5)32(29)15-17-35(30,31)6/h8-10,18,22-25,28-32H,7,11-17,19-21H2,1-6H3/t24?,25?,28?,29?,30?,31?,32?,34-,35+/m0/s1
InChIKey
QXFNNZWRLWVWOK-RNTFHWGXSA-N
Synonyms

((10R13R)17(4ethyl6methylheptan2yl)1013dimethyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)pyridine3carboxylate
(3S8S10R13R17R)17((2R)4ethyl6methylheptan2yl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylnicotinate
(8xi9xi14xi17xi20xi)23ethylcholest5en3ylpyridine3carboxylate
23ETHYLCHOLEST5EN3YLNICOTINATE
CCC(C(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1cccnc1)C)CC(C)C
CCC(CC(C)C)CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CN=CC=C5)C)C
CCC(CC(C1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)c1cccnc1)C)CC(C)C
InChI=1SC35H53NO2c1725(1923(2)3)2024(4)30121331291110272128(3833(37)269818362226)141634(275)32(29)151735(3031)6h8101822252832H711171921H216H3t24?25?28?29?30?31?32?3435+m0s1
MFCD00748062
ZINC000015134516
ZINC000253502425

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Available files

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