Vitas-M small molecule compound
4-(5-{[1-(2-fluorobenzyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Catalog ID
STK664032
SMILES [O-][N+](=O)c1nn(c(n1)Sc1nnnn1c1ccc(cc1)C(=O)O)Cc1ccccc1F
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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 C17H11FN8O4S MW 442.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11FN8O4S/c18-13-4-2-1-3-11(13)9-24-16(19-15(21-24)26(29)30)31-17-20-22-23-25(17)12-7-5-10(6-8-12)14(27)28/h1-8H,9H2,(H,27,28)InChIKey
ZTVWJGOTOJQPIV-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1nn(c(n1)Sc1nnnn1c1ccc(cc1)C(=O)O)Cc1ccccc1F
4(5((1(2fluorobenzyl)3nitro1H124triazol5yl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((2((2FLUOROPHENYL)METHYL)5NITRO124TRIAZOL3YL)SULFANYL)TETRAZOL1YL)BENZOICACID
C1=CC=C(C(=C1)CN2C(=NC(=N2)(N+)(=O)(O))SC3=NN=NN3C4=CC=C(C=C4)C(=O)O)F
InChI=1SC17H11FN8O4Sc1813421311(13)92416(1915(2124)26(29)30)311720222325(17)127510(6812)14(27)28h18H9H2(H2728)
MFCD06006672
ZINC000002877987
ZINC2877987
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