Vitas-M small molecule compound
(S)-3-((((2'R,3S,3aR,4aR,8aR,9aR)-8a-methyl-2-oxodecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-3-yl)methyl)amino)azepan-2-one
Catalog ID
STL562964
SMILES O=C1O[C@H]2[C@@H](C1CN[C@H]1CCCCNC1=O)C[C@@H]1[C@](C2)(C)CCC[C@]21OC2
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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 C21H32N2O4 MW 376.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O4/c1-20-6-4-7-21(12-26-21)17(20)9-13-14(19(25)27-16(13)10-20)11-23-15-5-2-3-8-22-18(15)24/h13-17,23H,2-12H2,1H3,(H,22,24)/t13-,14?,15+,16-,17-,20-,21+/m1/s1InChIKey
WNDDPGFQQNGAPA-QECSEZHBSA-NSynonyms
956147-10-7(3S)3(((3aR4aR5R8aR9aR)8amethyl2oxospiro(3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran52oxirane)3yl)methylamino)azepan2one
(S)3((((2R3S3aR4aR8aR9aR)8amethyl2oxodecahydro2Hspiro(naphtho(23b)furan52oxiran)3yl)methyl)amino)azepan2one
16401229
956147107
InChI=1SC21H32N2O4c12064721(122621)17(20)91314(19(25)2716(13)1020)11231552382218(15)24h131723H212H21H3(H2224)t1314?15+16172021+m1s1
MFCD32651379
O=C1O(C@H)2(C@@H)(C1CN(C@H)1CCCCNC1=O)C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004073991
ZINC000012868424
Check stock
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Check stock on Vitas-MAvailable files
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