Vitas-M small molecule compound
(2E)-1-{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK192283
SMILES [O-][N+](=O)c1cccc(c1)/C=C/C(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
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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 C21H18N6O3S2 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S2/c28-19(9-8-15-4-1-5-16(12-15)27(29)30)26-21(23-14-18-7-3-11-32-18)24-20(25-26)22-13-17-6-2-10-31-17/h1-12H,13-14H2,(H2,22,23,24,25)/b9-8+InChIKey
KSWBMTUIUOFCHF-CMDGGOBGSA-NSynonyms
(2E)1(35BIS((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)3(3NITROPHENYL)PROP2EN1ONE
(E)1(35bis(thiophen2ylmethylamino)124triazol1yl)3(3nitrophenyl)prop2en1one
(O)(N+)(=O)c1cccc(c1)C=CC(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4
InChI=1SC21H18N6O3S2c2819(981541516(1215)27(29)30)2621(23141873113218)2420(2526)22131762103117h112H1314H2(H222232425)b98+
MFCD06665532
ZINC000009933352
ZINC09933352
ZINC9933352
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