Vitas-M small molecule compound
(3aR,6R,9aR,11aR)-6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STL528007
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1C13CCC4[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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-16(2)20-15-30-12-9-21-28(3,10-6-11-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)31(25(23)33)17-7-5-8-18(13-17)32(37)38/h5,7-8,13,15-16,19,21-24H,6,9-12,14H2,1-4H3,(H,35,36)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1InChIKey
BHKWBTATPFLOTL-POFYSIHFSA-NSynonyms
(3aR6R9aR11aR)12isopropyl69adimethyl2(3nitrophenyl)13dioxo1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(3aR6R9aR11aR)69adimethyl2(3nitrophenyl)13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(5~(R)9~(R)13~(R)17~(R))59dimethyl15(3nitrophenyl)1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
16398187
InChI=1SC30H36N2O6c116(2)2015301292128(31061129(214)27(35)36)22(30)1419(20)2324(30)26(34)31(25(23)33)1775818(1317)32(37)38h578131516192124H691214H214H3(H3536)t19?21?22?2324+28+2930?m1s1
MFCD03660928
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105368952
ZINC000252693172
Check stock
See real-time availability and sample size for STL528007 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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