Vitas-M small molecule compound
(3aR,6R,9aR,11aR)-2-(4-hydroxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STL526129
SMILES Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O
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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 C30H37NO5 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37NO5/c1-16(2)20-15-30-13-10-21-28(3,11-5-12-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)31(25(23)33)17-6-8-18(32)9-7-17/h6-9,15-16,19,21-24,32H,5,10-14H2,1-4H3,(H,35,36)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1InChIKey
FYZFYVOGEUZQNZ-POFYSIHFSA-NSynonyms
(3aR6R9aR11aR)2(4hydroxyphenyl)12isopropyl69adimethyl13dioxo1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(3aR6R9aR11aR)2(4hydroxyphenyl)69adimethyl13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(5~(R)9~(R)13~(R)17~(R))15(4hydroxyphenyl)59dimethyl1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
16396872
InChI=1SC30H37NO5c116(2)20153013102128(31151229(214)27(35)36)22(30)1419(20)2324(30)26(34)31(25(23)33)176818(32)9717h69151619212432H51014H214H3(H3536)t19?21?22?2324+28+2930?m1s1
MFCD02114936
Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105366190
ZINC000252693840
Check stock
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Check stock on Vitas-MAvailable files
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