Vitas-M small molecule compound

(7R,10aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid

Catalog ID
STL552909
SMILES O=C1C=CC(=O)C2C1C13CCC4[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 C26H34O4 MW 410.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O4/c1-14(2)16-13-26-11-8-19-24(3,9-5-10-25(19,4)23(29)30)20(26)12-15(16)21-17(27)6-7-18(28)22(21)26/h6-7,13-15,19-22H,5,8-12H2,1-4H3,(H,29,30)/t15?,19?,20?,21?,22?,24-,25+,26?/m0/s1
InChIKey
JEPJECUEGPLKEW-HNSLJKDNSA-N
Synonyms

(5~(R)9~(R))59dimethyl1417dioxo20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icosa1519diene5carboxylicacid
(7R10aR)13isopropyl710adimethyl14dioxo44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylicacid
(7R10aR)710adimethyl14dioxo13(propan2yl)44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylicacid
1(4METHYLPHENYL)N(2PHENYLETHYL)5PYRIDIN3YL1H123TRIAZOLE4CARBOXAMIDE
16397159
InChI=1SC26H34O4c114(2)1613261181924(3951025(194)23(29)30)20(26)1215(16)2117(27)6718(28)22(21)26h6713151922H5812H214H3(H2930)t15?19?20?21?22?2425+26?m0s1
O=C1C=CC(=O)C2C1C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000245312430
ZINC000245312433

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.