Vitas-M small molecule compound
1-[(2E,4aR,6aS)-2-(methoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone
Catalog ID
STK766700
SMILES CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C
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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 C26H39NO2 MW 397.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO2/c1-17(28)26-12-6-5-7-19(26)16-23-21-9-8-18-15-20(27-29-4)10-13-24(18,2)22(21)11-14-25(23,26)3/h15,19,21-23H,5-14,16H2,1-4H3/b27-20+/t19?,21?,22?,23?,24-,25-,26?/m0/s1InChIKey
CTVOPPAULYUILQ-CUPYBVLASA-NSynonyms
1((2E4aR6aS)2(methoxyimino)4a6adimethyl2344a4b566a7891010a1111a11b1213octadecahydro6bHindeno(21a)phenanthren6byl)ethanone
1((2E4aR6aS)2methoxyimino4a6adimethyl44b567891010a1111a11b1213tetradecahydro3Hindeno(21a)phenanthren6byl)ethanone
CC(=O)C12CCCCC1CC3C2(CCC4C3CCC5=CC(=NOC)CCC45C)C
CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC1C2(CCCC1)C(=O)C)C)C
InChI=1SC26H39NO2c117(28)261265719(26)16232198181520(27294)101324(182)22(21)111425(2326)3h15192123H51416H214H3b2720+t19?21?22?23?242526?m0s1
ZINC000004573288
ZINC000253507412
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