Vitas-M small molecule compound
6,9a-dimethyl-2-(4-methylphenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STL558066
SMILES Cc1ccc(cc1)N1C(=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 C31H39NO4 MW 489.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39NO4/c1-17(2)21-16-31-14-11-22-29(4,12-6-13-30(22,5)28(35)36)23(31)15-20(21)24-25(31)27(34)32(26(24)33)19-9-7-18(3)8-10-19/h7-10,16-17,20,22-25H,6,11-15H2,1-5H3,(H,35,36)InChIKey
YAHGOSRWKWIBRM-UHFFFAOYSA-NSynonyms
(3aR6R9aR11aR)12isopropyl69adimethyl13dioxo2(ptolyl)1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
2884219
59dimethyl15(4methylphenyl)1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
69adimethyl2(4methylphenyl)13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
Cc1ccc(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
InChI=1SC31H39NO4c117(2)21163114112229(41261330(225)28(35)36)23(31)1520(21)2425(31)27(34)32(26(24)33)199718(3)81019h7101617202225H61115H215H3(H3536)
MFCD02224026
ZINC000239433570
ZINC000239433573
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