Vitas-M small molecule compound
(1R,5R)-3-({3-[4-(azepan-1-yl)-4-oxobutyl]-1H-indol-1-yl}methyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL562983
SMILES O=C(N1CCCCCC1)CCCc1cn(c2c1cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C30H38N4O2 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O2/c35-29(32-15-5-1-2-6-16-32)13-7-9-24-21-33(28-11-4-3-10-26(24)28)22-31-18-23-17-25(20-31)27-12-8-14-30(36)34(27)19-23/h3-4,8,10-12,14,21,23,25H,1-2,5-7,9,13,15-20,22H2/t23-,25+/m0/s1InChIKey
XHOKXAICBKRPCR-UKILVPOCSA-NSynonyms
(1R5R)3((3(4(azepan1yl)4oxobutyl)1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3((3(4(azepan1yl)4oxobutyl)1Hindol1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1R9S)11((3(4(azepan1yl)4oxobutyl)indol1yl)methyl)711diazatricyclo(731027)trideca24dien6one
99981016
InChI=1SC30H38N4O2c3529(321551261632)1379242133(2811431026(24)28)223118231725(2031)271281430(36)34(27)1923h348101214212325H1257913152022H2t2325+m0s1
MFCD32651380
O=C(N1CCCCCC1)CCCc1cn(c2c1cccc2)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000100788788
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