Vitas-M small molecule compound
(5R,10S,13S,17S)-10-methoxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol
Catalog ID
STL564581
SMILES CC#C[C@]1(O)CCC2[C@]1(C)CC=C1C2CC[C@@]2([C@]1(OC)CCC1(C2)OCCO1)O
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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 C24H34O5 MW 402.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34O5/c1-4-8-21(25)11-7-18-17-5-10-22(26)16-23(28-14-15-29-23)12-13-24(22,27-3)19(17)6-9-20(18,21)2/h6,17-18,25-26H,5,7,9-16H2,1-3H3/t17?,18?,20-,21-,22+,24-/m0/s1InChIKey
MIKKTKLYAJCNPM-LXDNXDNQSA-NSynonyms
(5R10S13S17S)10methoxy13methyl17(prop1yn1yl)124567810121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)517diol
(5R10S13S17S)10methoxy13methyl17(prop1yn1yl)1267810121314151617dodecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)517(4H)diol
(5R10S13S17S)10methoxy13methyl17prop1ynylspiro(12467812141516decahydrocyclopenta(a)phenanthrene3213dioxolane)517diol
16395380
CC#C(C@)1(O)CCC2(C@)1(C)CC=C1C2CC(C@@)2((C@)1(OC)CCC1(C2)OCCO1)O
InChI=1SC24H34O5c14821(25)117181751022(26)1623(2814152923)121324(22273)19(17)6920(1821)2h617182526H57916H213H3t17?18?202122+24m0s1
MFCD32651510
ZINC000004024433
ZINC000004024440
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