Vitas-M small molecule compound
3-{2-[(6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Catalog ID
STL535113
SMILES CC(=C)COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C32H40N2O4 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O4/c1-19(2)18-37-27-12-20(3)13-28-30(27)21(4)25(32(36)38-28)16-29(35)34-11-7-8-22-14-23-15-24(31(22)34)17-33-10-6-5-9-26(23)33/h12-14,23-24,26,31H,1,5-11,15-18H2,2-4H3/t23-,24+,26+,31+/m0/s1InChIKey
WLXZOMPZGRBTEZ-KTHXJTJTSA-NSynonyms
3(2((6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)47dimethyl5((2methylprop2en1yl)oxy)2Hchromen2one
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)47dimethyl5((2methylallyl)oxy)2Hchromen2one
CC(=C)COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC32H40N2O4c119(2)1837271220(3)132830(27)21(4)25(32(36)3828)1629(35)3411782214231524(31(22)34)17331065926(23)33h121423242631H15111518H224H3t2324+26+31+m0s1
MFCD08742818
ZINC000100787974
Check stock
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