Vitas-M small molecule compound

(1S,5R)-3-{[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL579147
SMILES O=C(c1n[nH]c(c1)c1ccco1)N1C[C@H]2C[C@@H](C1)C1N(C2)C(=O)CCC1

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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 C19H22N4O3 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3/c24-18-5-1-3-16-13-7-12(10-23(16)18)9-22(11-13)19(25)15-8-14(20-21-15)17-4-2-6-26-17/h2,4,6,8,12-13,16H,1,3,5,7,9-11H2,(H,20,21)/t12-,13+,16?/m1/s1
InChIKey
BZJSJZGONMFJRN-IMSGDLLMSA-N
Synonyms

(1R5S)3(3(furan2yl)1Hpyrazole5carbonyl)octahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5(furan2yl)1Hpyrazol3yl)carbonyl)decahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC19H22N4O3c24185131613712(1023(16)18)922(1113)19(25)15814(202115)174262617h2468121316H1357911H2(H2021)t1213+16?m1s1
O=C1CCCC2N1C(C@@H)1C(C@H)2CN(C1)C(=O)c1(nH)nc(c1)c1ccco1

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Available files

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