Vitas-M small molecule compound
methyl (2S,4aR,6aS,6bR,9aS)-2-(acetyloxy)-6b-[(1Z)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,2]oxazole-9-carboxylate
Catalog ID
STK756646
SMILES COC(=O)C1=NO[C@@]2([C@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CC[C@@H](C1)OC(=O)C)/C(=N\OC(=O)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 C28H38N2O7 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O7/c1-15(29-36-17(3)32)28-23(24(30-37-28)25(33)34-6)14-22-20-8-7-18-13-19(35-16(2)31)9-11-26(18,4)21(20)10-12-27(22,28)5/h7,19-23H,8-14H2,1-6H3/b29-15-/t19-,20?,21?,22?,23-,26-,27-,28+/m0/s1InChIKey
WDBOBNMZFPNSTI-ULUJPGMYSA-NSynonyms
CC(=NOC(=O)C)C12C(CC3C1(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C(=NO2)C(=O)OC
COC(=O)C1=NO(C@@)2((C@H)1CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CC(C@@H)(C1)OC(=O)C)C(=NOC(=O)C)C
InChI=1SC28H38N2O7c115(293617(3)32)2823(24(303728)25(33)346)14222087181319(3516(2)31)91126(184)21(20)101227(2228)5h71923H814H216H3b2915t1920?21?22?23262728+m0s1
methyl(2S4aR6aS6bR9aS)2(acetyloxy)6b((1Z)N(acetyloxy)ethanimidoyl)4a6adimethyl2344a4b566a6b9a1010a10b11tetradecahydro1Hnaphtho(2145)indeno(21d)(12)oxazole9carb
MFCD01244549
ZINC000005225389
ZINC000253505650
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.