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}-6,7-dimethoxy-2-methylquinazolin-4(3H)-one
Catalog ID
STL549940
SMILES COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)C
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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 C28H36N4O4 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O4/c1-17-29-22-14-25(36-3)24(35-2)13-21(22)28(34)32(17)16-26(33)31-10-6-7-18-11-19-12-20(27(18)31)15-30-9-5-4-8-23(19)30/h11,13-14,19-20,23,27H,4-10,12,15-16H2,1-3H3/t19-,20+,23+,27+/m0/s1InChIKey
YUMMPEVEISFVLZ-SYNWLFQPSA-NSynonyms
3(2((6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)67dimethoxy2methylquinazolin4(3H)one
3(2((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)67dimethoxy2methylquinazolin4(3H)one
COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31)C
InChI=1SC28H36N4O4c11729221425(363)24(352)1321(22)28(34)32(17)1626(33)3110671811191220(27(18)31)1530954823(19)30h11131419202327H410121516H213H3t1920+23+27+m0s1
ZINC000524732134
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