Vitas-M small molecule compound

ethyl 2-[(8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yloxy]-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate

Catalog ID
STL526158
SMILES CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)C)C)C1)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 C39H58F3NO5S MW 709.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H58F3NO5S/c1-8-47-35(44)38(39(40,41)42,43-49(45,46)30-15-12-26(4)13-16-30)48-29-20-22-36(6)28(24-29)14-17-31-33-19-18-32(27(5)11-9-10-25(2)3)37(33,7)23-21-34(31)36/h12-16,25,27,29,31-34,43H,8-11,17-24H2,1-7H3/t27?,29?,31?,32?,33?,34?,36-,37+,3
InChIKey
CWZAYZHRFRWXQC-VWAIIEBTSA-N
Synonyms

135639136
CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC(C@@H)2(C@@H)(CCCC(C)C)C)C)C1)C
ethyl2(((10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)oxy)333trifluoro2((4methylphenyl)sulfonylamino)propanoate
ethyl2(((3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)oxy)333trifluoro2(4methylphenylsulfonamido)propanoate
ethyl2((8xi9xi14xi17xi20xi)cholest5en3yloxy)333trifluoroN((4methylphenyl)sulfonyl)alaninate
InChI=1SC39H58F3NO5Sc184735(44)38(39(4041)424349(4546)30151226(4)131630)4829202236(6)28(2429)14173133191832(27(5)1191025(2)3)37(337)232134(31)36h1216252729313443H8111724H217H3t27?29?31?32?33?34?3637+38?m0s1
MFCD02925975
ZINC001772492007
ZINC001772492010

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Available files

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