Vitas-M small molecule compound

(3alpha,8xi,9xi,14xi,17xi)-20-oxopregn-5-en-3-yl 3-iodobenzoate

Catalog ID
STL546423
SMILES CC(=O)C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)c1cccc(c1)I

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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 C28H35IO3 MW 546.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35IO3/c1-17(30)23-9-10-24-22-8-7-19-16-21(32-26(31)18-5-4-6-20(29)15-18)11-13-27(19,2)25(22)12-14-28(23,24)3/h4-7,15,21-25H,8-14,16H2,1-3H3/t21-,22?,23?,24?,25?,27+,28-/m1/s1
InChIKey
ZQIAUMJMNRWQQO-UCVREIFRSA-N
Synonyms

((3~(R)10~(R)13~(S))17acetyl1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3iodobenzoate
(3alpha8xi9xi14xi17xi)20oxopregn5en3yl3iodobenzoate
(3R8S9S10R13S14S17S)17acetyl1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3iodobenzoate
135639741
CC(=O)(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)c1cccc(c1)I
InChI=1SC28H35IO3c117(30)23910242287191621(3226(31)1854620(29)1518)111327(192)25(22)121428(2324)3h47152125H81416H213H3t2122?23?24?25?27+28m1s1
MFCD00329910
ZINC000257372336
ZINC001772492708

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Available files

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