Vitas-M small molecule compound
{3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}(thiophen-2-yl)methanone
Catalog ID
STK246602
SMILES O=C(n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1ccco1)c1cccs1
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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 C18H13N5O4S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O4S/c24-17(15-7-3-9-28-15)22-18(20-16(21-22)14-6-2-8-27-14)19-11-12-4-1-5-13(10-12)23(25)26/h1-10H,11H2,(H,19,20,21)InChIKey
NBQRDEKDEXNDMU-UHFFFAOYSA-NSynonyms
(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)(thiophen2yl)methanone
(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)thiophen2ylmethanone
C1=CC(=CC(=C1)(N+)(=O)(O))CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4
InChI=1SC18H13N5O4Sc2417(157392815)2218(2016(2122)146282714)19111241513(1012)23(25)26h110H11H2(H192021)
MFCD08685216
O=C(n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1ccco1)c1cccs1
ZINC000009667705
ZINC09667705
ZINC9667705
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