Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-((4-ethylpiperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL562420
SMILES CCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[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 C21H34N2O3 MW 362.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O3/c1-3-22-7-9-23(10-8-22)13-16-15-11-18-20(2,12-17(15)26-19(16)24)5-4-6-21(18)14-25-21/h15-18H,3-14H2,1-2H3/t15-,16?,17-,18?,20-,21+/m1/s1InChIKey
PWZIDACZWRSZDD-VBSSSLMHSA-NSynonyms
956975-92-1(2R3S3aR8aR9aR)3((4ethylpiperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3aR5R8aR9aR)3((4ethylpiperazin1yl)methyl)8amethylspiro(3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran52oxirane)2one
16397033
956975921
CCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC21H34N2O3c13227923(10822)131615111820(21217(15)2619(16)24)54621(18)142521h1518H314H212H3t1516?1718?2021+m1s1
ZINC000020112151
ZINC000020112157
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