Vitas-M small molecule compound
3-{2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Catalog ID
STL424802
SMILES O=C(N1CCCC1c1nc2c([nH]1)cccc2)Cn1nnc2c(c1=O)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 C20H18N6O2 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O2/c27-18(12-26-20(28)13-6-1-2-7-14(13)23-24-26)25-11-5-10-17(25)19-21-15-8-3-4-9-16(15)22-19/h1-4,6-9,17H,5,10-12H2,(H,21,22)InChIKey
CNAQRWKPJGYUOR-UHFFFAOYSA-NSynonyms
(S)3(2(2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)2oxoethyl)benzo(d)(123)triazin4(3H)one
3(2(2(1Hbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)123benzotriazin4(3H)one
3(2(2(1Hbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)123benzotriazin4one
C1CC(N(C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5N4
InChI=1SC20H18N6O2c2718(122620(28)13612714(13)232426)251151017(25)192115834916(15)2219h146917H51012H2(H2122)
MFCD30709574
O=C(N1CCC(C@H)1c1nc2c((nH)1)cccc2)Cn1nnc2c(c1=O)cccc2
O=C(N1CCCC1c1nc2c((nH)1)cccc2)Cn1nnc2c(c1=O)cccc2
ZINC000016310643
ZINC000016310646
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