Vitas-M small molecule compound
6,9a-dimethyl-1,3-dioxo-2-phenyl-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STL558065
SMILES O=C1N(c2ccccc2)C(=O)C2C1C13CCC4C(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 C30H37NO4 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37NO4/c1-17(2)20-16-30-14-11-21-28(3,12-8-13-29(21,4)27(34)35)22(30)15-19(20)23-24(30)26(33)31(25(23)32)18-9-6-5-7-10-18/h5-7,9-10,16-17,19,21-24H,8,11-15H2,1-4H3,(H,34,35)InChIKey
XFIWQQAILDPLJC-UHFFFAOYSA-NSynonyms
5432-65-5(3aR6R9aR11aR)12isopropyl69adimethyl13dioxo2phenyl1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
12ISOPROPYL69ADIMETHYL13DIOXO2PHENYLHEXADECAHYDRO3B11ETHENONAPHTHO(21E)ISOINDOLE6CARBOXYLICACID
221592
5432655
59dimethyl1416dioxo15phenyl19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
69adimethyl13dioxo2phenyl12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
InChI=1SC30H37NO4c117(2)20163014112128(31281329(214)27(34)35)22(30)1519(20)2324(30)26(33)31(25(23)32)1896571018h579101617192124H81115H214H3(H3435)
ISOPROPYLDIMETHYLDIOXOPHENYL()CARBOXYLICACID
MFCD02083709
O=C1N(c2ccccc2)C(=O)(C@H)2(C@@H)1C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105368941
ZINC000239433104
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Check stock on Vitas-MAvailable files
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