Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-8a-methyl-3-(((2-morpholinoethyl)amino)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL526260
SMILES O=C1O[C@H]2[C@@H](C1CNCCN1CCOCC1)CC1[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(24)27-17(15)12-20)13-22-5-6-23-7-9-25-10-8-23/h15-18,22H,2-14H2,1H3/t15-,16?,17-,18?,20-,21+/m1/s1InChIKey
HDKULJYCKVVOPP-VBSSSLMHSA-NSynonyms
956975-79-4(2R3S3aR8aR9aR)8amethyl3(((2morpholinoethyl)amino)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((2morpholin4ylethylamino)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16396985
956975794
InChI=1SC21H34N2O4c12032421(142621)18(20)111516(19(24)2717(15)1220)13225623792510823h151822H214H21H3t1516?1718?2021+m1s1
O=C1O(C@H)2(C@@H)(C1CNCCN1CCOCC1)CC1(C@)(C2)(C)CCC(C@)21OC2
ZINC000020112085
ZINC000020112091
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