Vitas-M small molecule compound
(1S,5R)-3-{[(3Z)-6-chloro-3-(2-methoxybenzylidene)-2-oxo-2,3-dihydro-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
STL537369
SMILES COc1ccccc1/C=C\1/c2ccc(cc2N(C1=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl
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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 C28H26ClN3O3 MW 487.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O3/c1-35-26-7-3-2-5-19(26)12-23-22-10-9-21(29)13-25(22)32(28(23)34)17-30-14-18-11-20(16-30)24-6-4-8-27(33)31(24)15-18/h2-10,12-13,18,20H,11,14-17H2,1H3/b23-12-/t18-,20+/m0/s1InChIKey
XKEBNRBWDQCPEE-GOWLBUCNSA-NSynonyms
1005265-71-3(1R5S)3(((Z)6chloro3(2methoxybenzylidene)2oxoindolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((3Z)6chloro3(2methoxybenzylidene)2oxo23dihydro1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
1005265713
COc1ccccc1C=C1c2ccc(cc2N(C1=O)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC28H26ClN3O3c13526732519(26)12232210921(29)1325(22)32(28(23)34)173014181120(1630)2464827(33)31(24)1518h21012131820H111417H21H3b2312t1820+m0s1
MFCD10487948
ZINC000008764787
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