Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((4-(m-tolyl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL530347
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C)C1OC31[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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-17-6-4-8-19(14-17)28-12-10-27(11-13-28)16-20-22-21(30-24(20)29)15-25(3)9-5-7-18(2)26(25)23(22)31-26/h4,6,8,14,18,20-23H,5,7,9-13,15-16H2,1-3H3/t18-,20?,21+,22+,23?,25+,26?/m0/s1InChIKey
JMGOFRBCTALPQQ-BICSSWSISA-NSynonyms
1212466-15-3(2S5aR6aR9S9aR)25adimethyl9((4(mtolyl)piperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4(3methylphenyl)piperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212466153
16404071
InChI=1SC26H36N2O3c11764819(1417)28121027(111328)16202221(3024(20)29)1525(3)95718(2)26(25)23(22)3126h46814182023H579131516H213H3t1820?21+22+23?25+26?m0s1
MFCD32649913
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)C)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059415296
ZINC000230021254
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