Vitas-M small molecule compound

(2'R,3S,3aR,8aR,9aR)-3-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

Catalog ID
STL562819
SMILES OCCN1CCN(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 C21H34N2O4 MW 378.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O4/c1-20-3-2-4-21(14-26-21)18(20)11-15-16(19(25)27-17(15)12-20)13-23-7-5-22(6-8-23)9-10-24/h15-18,24H,2-14H2,1H3/t15-,16?,17-,18?,20-,21+/m1/s1
InChIKey
WFHXKDWGIYEKCH-VBSSSLMHSA-N
Synonyms
956968-64-2
(2R3S3aR8aR9aR)3((4(2hydroxyethyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3aR5R8aR9aR)3((4(2hydroxyethyl)piperazin1yl)methyl)8amethylspiro(3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran52oxirane)2one
16398781
956968642
InChI=1SC21H34N2O4c12032421(142621)18(20)111516(19(25)2717(15)1220)13237522(6823)91024h151824H214H21H3t1516?1718?2021+m1s1
OCCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2
ZINC000020410973
ZINC000020410981

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Available files

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