Vitas-M small molecule compound

methyl 3-{(E)-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]diazenyl}-1H-indole-2-carboxylate

Catalog ID
STL528221
SMILES COC(=O)c1[nH]c2c(c1/N=N/N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cccc2

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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-29-21(28)20-19(15-5-2-3-6-16(15)22-20)23-24-25-10-13-9-14(12-25)17-7-4-8-18(27)26(17)11-13/h2-8,13-14,22H,9-12H2,1H3/b24-23+/t13-,14+/m0/s1
InChIKey
IXWNPEOFLGJGLY-WGZLRRDASA-N
Synonyms

COC(=O)c1(nH)c2c(c1N=NN1C(C@@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)cccc2
InChI=1SC21H21N5O3c12921(28)2019(15523616(15)2220)2324251013914(1225)1774818(27)26(17)1113h28131422H912H21H3b2423+t1314+m0s1
methyl3((E)((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)diazenyl)1Hindole2carboxylate
methyl3((E)((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)diazenyl)1Hindole2carboxylate
MFCD03850040
ZINC000002146567

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Available files

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