Vitas-M small molecule compound
N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STK323283
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
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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 C20H13FN6O3S MW 436.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13FN6O3S/c21-13-3-8-15(9-4-13)26-24-17-10-5-14(11-18(17)25-26)22-20(31)23-19(28)12-1-6-16(7-2-12)27(29)30/h1-11H,(H2,22,23,28,31)InChIKey
ITGSAAGMPZLGMH-UHFFFAOYSA-NSynonyms
C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)(N+)(=O)(O)
InChI=1SC20H13FN6O3Sc21133815(9413)26241710514(1118(17)2526)2220(31)2319(28)121616(7212)27(29)30h111H(H222232831)
MFCD02802713
N((2(4fluorophenyl)2Hbenzotriazol5yl)carbamothioyl)4nitrobenzamide
N((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
ZINC000001172861
ZINC01172861
ZINC1172861
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