Vitas-M small molecule compound

(3aR,6R,9aR,11aR)-2-(3-hydroxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid

Catalog ID
STL526188
SMILES Oc1cccc(c1)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)20-15-30-12-9-21-28(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(32)13-17/h5,7-8,13,15-16,19,21-24,32H,6,9-12,14H2,1-4H3,(H,35,36)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1
InChIKey
JZCAMJGYCFMTGT-POFYSIHFSA-N
Synonyms

(3aR6R9aR11aR)2(3hydroxyphenyl)12isopropyl69adimethyl13dioxo1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(3aR6R9aR11aR)2(3hydroxyphenyl)69adimethyl13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(5~(R)9~(R)13~(R)17~(R))15(3hydroxyphenyl)59dimethyl1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
16396869
InChI=1SC30H37NO5c116(2)2015301292128(31061129(214)27(35)36)22(30)1419(20)2324(30)26(34)31(25(23)33)1775818(32)1317h57813151619212432H691214H214H3(H3536)t19?21?22?2324+28+2930?m1s1
MFCD02114902
Oc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105366175
ZINC000252694388

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Available files

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