Vitas-M small molecule compound
ethyl (8xi,9xi,14xi,20R)-3-(acetyloxy)-21-amino-21-oxo-17,20-epoxypregn-5-ene-20-carboxylate
Catalog ID
STL524890
SMILES CCOC(=O)[C@]1(O[C@]21CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)C(=O)N
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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 C26H37NO6 MW 459.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO6/c1-5-31-22(30)26(21(27)29)25(33-26)13-10-20-18-7-6-16-14-17(32-15(2)28)8-11-23(16,3)19(18)9-12-24(20,25)4/h6,17-20H,5,7-14H2,1-4H3,(H2,27,29)/t17?,18?,19?,20?,23-,24-,25+,26+/m0/s1InChIKey
QJQTUBVOEIHWIT-QNQOTARISA-NSynonyms
(2R3R10R13S)ethyl3acetoxy3carbamoyl1013dimethyl123478910111213141516tetradecahydrospiro(cyclopenta(a)phenanthrene172oxirane)3carboxylate
16396178
CCOC(=O)(C@)1(O(C@)21CCC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(C1)OC(=O)C)C(=O)N
ethyl(2~(R)10~(R)13~(S)17~(R))3acetyloxy2carbamoyl1013dimethylspiro(12347891112141516dodecahydrocyclopenta(a)phenanthrene173oxirane)2carboxylate
ethyl(8xi9xi14xi20R)3(acetyloxy)21amino21oxo1720epoxypregn5ene20carboxylate
InChI=1SC26H37NO6c153122(30)26(21(27)29)25(3326)1310201876161417(3215(2)28)81123(163)19(18)91224(2025)4h61720H5714H214H3(H22729)t17?18?19?20?232425+26+m0s1
MFCD01547999
ZINC000012657727
ZINC000253499873
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