Vitas-M small molecule compound
2-(2-hydroxyethyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STK677654
SMILES OCCN1C(=O)C2C(C1=O)C13CCC4C(C3CC2C(=C1)C(C)C)(C)CCCC4(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 C26H37NO5 MW 443.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO5/c1-14(2)16-13-26-9-6-17-24(3,7-5-8-25(17,4)23(31)32)18(26)12-15(16)19-20(26)22(30)27(10-11-28)21(19)29/h13-15,17-20,28H,5-12H2,1-4H3,(H,31,32)InChIKey
OIKFDHXDOGJMOI-UHFFFAOYSA-NSynonyms
(3aR6R9aR11aR)2(2hydroxyethyl)12isopropyl69adimethyl13dioxo1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
2(2hydroxyethyl)69adimethyl13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)CCO)(CCCC4(C)C(=O)O)C
InChI=1SC26H37NO5c114(2)161326961724(375825(174)23(31)32)18(26)1215(16)1920(26)22(30)27(101128)21(19)29h1315172028H512H214H3(H3132)
MFCD02085320
OCCN1C(=O)(C@H)2(C@@H)(C1=O)C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105366218
ZINC000252265753
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