Vitas-M small molecule compound
(4aR,6aS,13aS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one
Catalog ID
STL524737
SMILES O=C1CC[C@]2([C@@](C1)(O)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)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 C26H40O3 MW 400.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18,20-22,29H,5-15H2,1-4H3/t16?,18?,20?,21?,22?,23-,24+,25?,26-/m0/s1InChIKey
YYJQALYDDZZWSF-SHKGMGPOSA-NSynonyms
(2S2aS6aR8aS8bS13bS)8bacetyl2ahydroxy26a8atrimethyloctadecahydro1Hindeno(21a)phenanthren4(2H)one
(4~(a)~(R)6~(a)~(S)13~(a)~(S))6~(b)acetyl13~(a)hydroxy4~(a)6~(a)13trimethyl1344~(b)567891010~(a)1111~(a)11~(b)1213hexadecahydroindeno(21a)phenanthren2one
(4aR6aS13aS)6bacetyl13ahydroxy4a6a13trimethylicosahydro2Hindeno(21a)phenanthren2one
135638975
InChI=1SC26H40O3c116132021(24(4)11819(28)1526(1624)29)91223(3)22(20)14187561025(1823)17(2)27h1618202229H515H214H3t16?18?20?21?22?2324+25?26m0s1
MFCD01547020
O=C1CC(C@)2((C@@)(C1)(O)(C@@H)(C)C(C@@H)1C2CC(C@)2(C1CC1(C@)2(CCCC1)C(=O)C)C)C
ZINC000005528238
ZINC001772491925
Check stock
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