Vitas-M small molecule compound
3-nitro-5-[({[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK328805
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[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 C22H16N6O5S MW 476.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N6O5S/c29-19(24-16-10-15(21(30)31)11-18(12-16)28(32)33)13-34-22-26-25-20(14-6-8-23-9-7-14)27(22)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,29)(H,30,31)InChIKey
YSTAJWAHKMYYBX-UHFFFAOYSA-NSynonyms
728035-02-73nitro5((((4phenyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3NITRO5((2((4PHENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
728035027
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)O)(N+)(=O)(O))C4=CC=NC=C4
InChI=1SC22H16N6O5Sc2919(24161015(21(30)31)1118(1216)28(32)33)133422262520(1468239714)27(22)174213517h112H13H2(H2429)(H3031)
MFCD06017152
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)c1ccncc1
ZINC000018191219
ZINC18191219
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