Vitas-M small molecule compound

(1S,5S)-3-{[(3Z)-6-chloro-2-oxo-3-(3,4,5-trimethoxybenzylidene)-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
STL534965
SMILES COc1c(OC)cc(cc1OC)/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 C30H30ClN3O5 MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClN3O5/c1-37-26-11-18(12-27(38-2)29(26)39-3)10-23-22-8-7-21(31)13-25(22)34(30(23)36)17-32-14-19-9-20(16-32)24-5-4-6-28(35)33(24)15-19/h4-8,10-13,19-20H,9,14-17H2,1-3H3/b23-10-/t19-,20+/m0/s1
InChIKey
WYJGEOSVEHYQES-LQHZCWNKSA-N
Synonyms

(1R5S)3(((Z)6chloro2oxo3(345trimethoxybenzylidene)indolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(((3Z)6chloro2oxo3(345trimethoxybenzylidene)23dihydro1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1c(OC)cc(cc1OC)C=C1c2ccc(cc2N(C1=O)CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC30H30ClN3O5c137261118(1227(382)29(26)393)1023228721(31)1325(22)34(30(23)36)17321419920(1632)2454628(35)33(24)1519h4810131920H91417H213H3b2310t1920+m0s1
MFCD09793325
ZINC000100788665

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Available files

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