Vitas-M small molecule compound

furan-2-yl{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}methanone

Catalog ID
STK246542
SMILES O=C(n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1cccs1)c1ccco1

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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(14-6-2-8-27-14)22-18(20-16(21-22)15-7-3-9-28-15)19-11-12-4-1-5-13(10-12)23(25)26/h1-10H,11H2,(H,19,20,21)
InChIKey
VPZWDRKBICZPFV-UHFFFAOYSA-N
Synonyms

C1=CC(=CC(=C1)(N+)(=O)(O))CNC2=NC(=NN2C(=O)C3=CC=CO3)C4=CC=CS4
furan2yl(5((3nitrobenzyl)amino)3(thiophen2yl)1H124triazol1yl)methanone
furan2yl(5((3nitrophenyl)methylamino)3thiophen2yl124triazol1yl)methanone
InChI=1SC18H13N5O4Sc2417(146282714)2218(2016(2122)157392815)19111241513(1012)23(25)26h110H11H2(H192021)
MFCD08685158
O=C(n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1cccs1)c1ccco1
ZINC000009667659
ZINC09667659
ZINC9667659

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Available files

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