Vitas-M small molecule compound
(7R,10R,13S,17R)-7-(acetylsulfanyl)-10,13-dimethyl-5'-oxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3-yl acetate
Catalog ID
STL526965
SMILES CC(=O)OC1CC[C@]2(C(=C1)C[C@H](C1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)SC(=O)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 C26H36O5S MW 460.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O5S/c1-15(27)30-18-5-9-24(3)17(13-18)14-21(32-16(2)28)23-19(24)6-10-25(4)20(23)7-11-26(25)12-8-22(29)31-26/h13,18-21,23H,5-12,14H2,1-4H3/t18?,19?,20?,21-,23?,24+,25+,26-/m1/s1InChIKey
VOVJBCRTCDHDSH-UFCFHBMWSA-NSynonyms
((7~(R)10~(R)13~(S)17~(R))7acetylsulfanyl1013dimethyl5oxospiro(12367891112141516dodecahydrocyclopenta(a)phenanthrene172oxolane)3yl)acetate
(2R7R10R13S)7(acetylthio)1013dimethyl5oxo12345678910111213141516hexadecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)3ylacetate
(7R10R13S17R)7(acetylsulfanyl)1013dimethyl5oxo12345678910111213141516hexadecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)3ylacetate
16397512
CC(=O)OC1CC(C@)2(C(=C1)C(C@H)(C1C2CC(C@)2(C1CC(C@)12CCC(=O)O1)C)SC(=O)C)C
InChI=1SC26H36O5Sc115(27)30185924(3)17(1318)1421(3216(2)28)2319(24)61025(4)20(23)71126(25)12822(29)3126h13182123H51214H214H3t18?19?20?2123?24+25+26m1s1
MFCD03006251
ZINC000252695142
ZINC000253500065
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