Vitas-M small molecule compound
(6alpha,8xi,14xi)-17-hydroxy-6-methyl-3,20-dioxopregna-4,9(11)-dien-21-yl acetate
Catalog ID
STL525653
SMILES CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC=C1C2C[C@@H](C2=CC(=O)CC[C@]12C)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 C24H32O5 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32O5/c1-14-11-17-18(22(3)8-5-16(26)12-20(14)22)6-9-23(4)19(17)7-10-24(23,28)21(27)13-29-15(2)25/h6,12,14,17,19,28H,5,7-11,13H2,1-4H3/t14-,17?,19?,22+,23-,24-/m0/s1InChIKey
AVFHZOOFYZGDSX-DHGXDUFYSA-NSynonyms
(2((6~(S)10~(R)13~(S)17~(R))17hydroxy61013trimethyl3oxo267812141516octahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(6alpha8xi14xi)17hydroxy6methyl320dioxopregna49(11)dien21ylacetate
16396366
2((6S10R13S17R)17hydroxy61013trimethyl3oxo2367810121314151617dodecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC=C1C2C(C@@H)(C2=CC(=O)CC(C@)12C)C
InChI=1SC24H32O5c114111718(22(3)8516(26)1220(14)22)6923(4)19(17)71024(2328)21(27)132915(2)25h61214171928H571113H214H3t1417?19?22+2324m0s1
MFCD01844735
ZINC000003927668
ZINC000004027238
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