Vitas-M small molecule compound
(1S,5S)-3-({(3Z)-6-chloro-3-[(1-ethyl-1H-indol-3-yl)methylidene]-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
STL535264
SMILES CCn1cc(c2c1cccc2)/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 C31H29ClN4O2 MW 525.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O2/c1-2-34-18-21(24-6-3-4-7-28(24)34)13-26-25-11-10-23(32)14-29(25)36(31(26)38)19-33-15-20-12-22(17-33)27-8-5-9-30(37)35(27)16-20/h3-11,13-14,18,20,22H,2,12,15-17,19H2,1H3/b26-13-/t20-,22+/m0/s1InChIKey
SIDDCUWVUDPVKI-LKATUTPVSA-NSynonyms
(1R5S)3(((Z)6chloro3((1ethyl1Hindol3yl)methylene)2oxoindolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(((3Z)6chloro3((1ethyl1Hindol3yl)methylidene)2oxo23dihydro1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCn1cc(c2c1cccc2)C=C1c2ccc(cc2N(C1=O)CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC31H29ClN4O2c12341821(24634728(24)34)132625111023(32)1429(25)36(31(26)38)193315201222(1733)2785930(37)35(27)1620h3111314182022H212151719H21H3b2613t2022+m0s1
MFCD09791995
ZINC000100788613
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