Vitas-M small molecule compound
1-(4-nitrothiophen-2-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK922488
SMILES O=C(c1scc(c1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1ccncc1
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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 C19H13N5O3S2 MW 423.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5O3S2/c25-16(17-10-15(11-28-17)24(26)27)12-29-19-22-21-18(13-6-8-20-9-7-13)23(19)14-4-2-1-3-5-14/h1-11H,12H2InChIKey
WSHZAPROBHQBDP-UHFFFAOYSA-NSynonyms
941252-72-81(4NITRO(2THIENYL))2(4PHENYL5(4PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
1(4nitrothiophen2yl)2((4phenyl5(pyridin4yl)4H124triazol3yl)sulfanyl)ethanone
1(4NITROTHIOPHEN2YL)2((4PHENYL5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)ETHANONE
1(4nitrothiophen2yl)2((4phenyl5pyridin4yl124triazol3yl)sulfanyl)ethanone
941252728
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CS3)(N+)(=O)(O))C4=CC=NC=C4
InChI=1SC19H13N5O3S2c2516(171015(112817)24(26)27)122919222118(1368209713)23(19)144213514h111H12H2
MFCD09761160
O=C(c1scc(c1)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)c1ccncc1
ZINC000012139031
ZINC12139031
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