Vitas-M small molecule compound
(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chloroheptanoate (non-preferred name)
Catalog ID
STL525582
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(CCCCC)Cl
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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 C34H57ClO2 MW 533.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H57ClO2/c1-5-7-9-10-11-13-14-25-17-19-29-28-18-16-26-24-27(37-32(36)31(35)15-12-8-6-2)20-22-34(26,4)30(28)21-23-33(25,29)3/h16,25,27-31H,5-15,17-24H2,1-4H3/t25?,27-,28?,29?,30?,31?,33+,34-/m0/s1InChIKey
UYCWFCMOPJKMKJ-KWMFWAONSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2chloroheptanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chloroheptanoate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chloroheptanoate
122170094
CCCCCCCC(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)C(CCCCC)Cl
InChI=1SC34H57ClO2c15791011131425171929281816262427(3732(36)31(35)1512862)202234(264)30(28)212333(2529)3h16252731H5151724H214H3t25?2728?29?30?31?33+34m0s1
MFCD01083772
ZINC000409414400
ZINC000409414406
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