Vitas-M small molecule compound
1-[(4aR,6aS,13aS)-2,13a-dihydroxy-4a,6a,13-trimethylicosahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone
Catalog ID
STL525885
SMILES OC1CC[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 C26H42O3 MW 402.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H42O3/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/h16,18-22,28-29H,5-15H2,1-4H3/t16?,18?,19?,20?,21?,22?,23-,24+,25?,26-/m0/s1InChIKey
PATZWJFBWJISFP-BTUADBNXSA-NSynonyms
1((2S2aS4S6aR8aS8bS13bS)2a4dihydroxy26a8atrimethylicosahydro1Hindeno(21a)phenanthren8byl)ethanone
1((4~(a)~(R)6~(a)~(S)13~(a)~(S))213~(a)dihydroxy4~(a)6~(a)13trimethyl2344~(b)567891010~(a)1111~(a)11~(b)1213hexadecahydro1~(H)indeno(21a)phenanthren6~(b)yl)ethanone
1((4aR6aS13aS)213adihydroxy4a6a13trimethylicosahydro6bHindeno(21a)phenanthren6byl)ethanone
135639100
InChI=1SC26H42O3c116132021(24(4)11819(28)1526(1624)29)91223(3)22(20)14187561025(1823)17(2)27h1618222829H515H214H3t16?18?19?20?21?22?2324+25?26m0s1
MFCD01545418
O(C@H)1CC(C@)2((C@@)(C1)(O)(C@@H)(C)C(C@@H)1C2CC(C@)2(C1CC1(C@)2(CCCC1)C(=O)C)C)C
ZINC000005529544
ZINC001772491963
Check stock
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Check stock on Vitas-MAvailable files
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