Vitas-M small molecule compound
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-nitrothiophen-2-yl)ethanone
Catalog ID
STK922483
SMILES O=C(c1scc(c1)[N+](=O)[O-])CSc1nnc(c(n1)c1ccccc1)c1ccccc1
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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 C21H14N4O3S2 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O3S2/c26-17(18-11-16(12-29-18)25(27)28)13-30-21-22-19(14-7-3-1-4-8-14)20(23-24-21)15-9-5-2-6-10-15/h1-12H,13H2InChIKey
DTKGHEAHQLFHNM-UHFFFAOYSA-NSynonyms
2((56diphenyl124triazin3yl)sulfanyl)1(4nitrothiophen2yl)ethanone
2(56DIPHENYL(124TRIAZIN3YLTHIO))1(4NITRO(2THIENYL))ETHAN1ONE
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC(=CS3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC21H14N4O3S2c2617(181116(122918)25(27)28)1330212219(147314814)20(232421)1595261015h112H13H2
MFCD10083569
O=C(c1scc(c1)(N+)(=O)(O))CSc1nnc(c(n1)c1ccccc1)c1ccccc1
ZINC000012172939
ZINC12172939
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