Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-benzhydrylpiperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Catalog ID
STL540458
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)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 C32H40N2O3 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O3/c1-22-13-14-27-25(29(35)36-32(27)26(22)15-16-31(2)30(32)37-31)21-33-17-19-34(20-18-33)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,22,25-28,30H,13-21H2,1-2H3/t22-,25?,26+,27+,30-,31-,32-/m1/s1InChIKey
UDWSBTVGDHQAFN-BAERFQPOSA-NSynonyms
956915-20-1(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))4((4benzhydrylpiperazin1yl)methyl)812dimethyl213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)4((4benzhydrylpiperazin1yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)one
16400195
956915201
InChI=1SC32H40N2O3c12213142725(29(35)3632(27)26(22)151631(2)30(32)3731)2133171934(201833)28(2395361023)24117481224h31222252830H1321H212H3t2225?26+27+303132m1s1
MFCD32650004
O=C1O(C@@)23(C@H)(C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000070687144
ZINC000070687149
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