Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL532374
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(=CC1)c1ccc(cc1)Cl)C1OC31[C@](C2)(C)CCC[C@@H]3C
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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 C26H32ClNO3 MW 442.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO3/c1-16-4-3-11-25(2)14-21-22(23-26(16,25)31-23)20(24(29)30-21)15-28-12-9-18(10-13-28)17-5-7-19(27)8-6-17/h5-9,16,20-23H,3-4,10-15H2,1-2H3/t16-,20?,21+,22+,23?,25+,26?/m0/s1InChIKey
MGHKTKFVTLEAEQ-RQEXQYBCSA-NSynonyms
1214623-88-7(2S5aR6aR9S9aR)9((4(4chlorophenyl)56dihydropyridin1(2H)yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4(4chlorophenyl)36dihydro2~(H)pyridin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1214623887
16403815
InChI=1SC26H32ClNO3c116431125(2)142122(2326(1625)3123)20(24(29)3021)152812918(101328)175719(27)8617h59162023H341015H212H3t1620?21+22+23?25+26?m0s1
MFCD32649940
O=C1O(C@H)2(C@@H)(C1CN1CCC(=CC1)c1ccc(cc1)Cl)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000035363872
ZINC000100772232
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