Vitas-M small molecule compound
(1S,5R)-3-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534099
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
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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 C30H30N2O5 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5/c1-16-21-11-23-20-6-3-4-8-25(20)36-29(23)17(2)28(21)37-30(35)22(16)12-27(34)31-13-18-10-19(15-31)24-7-5-9-26(33)32(24)14-18/h5,7,9,11,18-19H,3-4,6,8,10,12-15H2,1-2H3/t18-,19+/m0/s1InChIKey
ADGIMVUEJJJXGL-RBUKOAKNSA-NSynonyms
(1R5S)3(2(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC30H30N2O5c11621112320634825(20)3629(23)17(2)28(21)3730(35)22(16)1227(34)3113181019(1531)2475926(33)32(24)1418h579111819H3468101215H212H3t1819+m0s1
MFCD08283617
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
ZINC000008877717
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