Vitas-M small molecule compound
methyl (4aR,6aS)-2-(acetyloxy)-6b-[(1E)-N-methoxyethanimidoyl]-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
STK751412
SMILES CO/N=C(/C12ON=C(C1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)C(=O)OC)\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 C27H38N2O6 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O6/c1-15(28-33-6)27-22(23(29-35-27)24(31)32-5)14-21-19-8-7-17-13-18(34-16(2)30)9-11-25(17,3)20(19)10-12-26(21,27)4/h7,18-22H,8-14H2,1-6H3/b28-15+/t18?,19?,20?,21?,22?,25-,26-,27?/m0/s1InChIKey
HMAGMEFQRZUDPW-KQSZJLTNSA-NSynonyms
CC(=NOC)C12C(CC3C1(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C(=NO2)C(=O)OC
CON=C(C12ON=C(C1CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(C1)OC(=O)C)C(=O)OC)C
InChI=1SC27H38N2O6c115(28336)2722(23(293527)24(31)325)14211987171318(3416(2)30)91125(173)20(19)101226(2127)4h71822H814H216H3b2815+t18?19?20?21?22?252627?m0s1
methyl(4aR6aS)2(acetyloxy)6b((1E)Nmethoxyethanimidoyl)4a6adimethyl2344a4b566a6b9a1010a10b11tetradecahydro1Hnaphtho(2145)indeno(21d)(12)oxazole9carboxylate
MFCD01244690
ZINC000013362119
ZINC000253502339
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