Vitas-M small molecule compound

(2S,5aR,6aR,9S,9aR)-9-((4-(3-methoxyphenyl)-3-methylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one

Catalog ID
STL542609
SMILES COc1cccc(c1)N1CCN(CC1C)CC1C(=O)O[C@H]2[C@@H]1C1OC31[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 C27H38N2O4 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O4/c1-17-7-6-10-26(3)14-22-23(24-27(17,26)33-24)21(25(30)32-22)16-28-11-12-29(18(2)15-28)19-8-5-9-20(13-19)31-4/h5,8-9,13,17-18,21-24H,6-7,10-12,14-16H2,1-4H3/t17-,18?,21?,22+,23+,24?,26+,27?/m0/s1
InChIKey
WANPKANMTAFMSM-POBGBORWSA-N
Synonyms
1212435-45-4
(2S5aR6aR9S9aR)9((4(3methoxyphenyl)3methylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4(3methoxyphenyl)3methylpiperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212435454
16396423
COc1cccc(c1)N1CCN(CC1C)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC27H38N2O4c117761026(3)142223(2427(1726)3324)21(25(30)3222)1628111229(18(2)1528)1985920(1319)314h5891317182124H6710121416H214H3t1718?21?22+23+24?26+27?m0s1
MFCD32650024
ZINC000252695180
ZINC000252695183

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Available files

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