Vitas-M small molecule compound
3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
Catalog ID
STK533884
SMILES OC(=O)c1cc(N/N=N/c2cccc(c2)S(=O)(=O)O)cc(c1)[N+](=O)[O-]
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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 C13H10N4O7S MW 366.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O7S/c18-13(19)8-4-10(6-11(5-8)17(20)21)15-16-14-9-2-1-3-12(7-9)25(22,23)24/h1-7H,(H,14,15)(H,18,19)(H,22,23,24)InChIKey
VCGONBIWYJBEHK-UHFFFAOYSA-NSynonyms
321967-14-0(E)3nitro5(3(3sulfophenyl)triaz2en1yl)benzoicacid
321967140
3nitro5((2E)3(3sulfophenyl)triaz2en1yl)benzoicacid
3NITRO5((2E)3(3SULFOPHENYL)TRIAZ2ENYL)BENZOICACID
3NITRO5(2(3SULFOPHENYL)IMINOHYDRAZINYL)BENZOICACID
C1=CC(=CC(=C1)S(=O)(=O)O)N=NNC2=CC(=CC(=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC13H10N4O7Sc1813(19)8410(611(58)17(20)21)151614921312(79)25(2223)24h17H(H1415)(H1819)(H222324)
MFCD01468448
OC(=O)c1cc(NN=Nc2cccc(c2)S(=O)(=O)O)cc(c1)(N+)(=O)(O)
ZINC000018126608
ZINC18126608
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