Vitas-M small molecule compound
4-fluoro-N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK062521
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)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 C22H18FN5O2S MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O2S/c1-13-11-19-20(27-28(26-19)16-7-9-17(30-2)10-8-16)12-18(13)24-22(31)25-21(29)14-3-5-15(23)6-4-14/h3-12H,1-2H3,(H2,24,25,29,31)InChIKey
OOGJWLOBKNUNOF-UHFFFAOYSA-NSynonyms
4FLUORON((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4FLUORON((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccc(cc1)F
InChI=1SC22H18FN5O2Sc113111920(2728(2619)167917(302)10816)1218(13)2422(31)2521(29)143515(23)6414h312H12H3(H224252931)
MFCD02628023
STK062521
ZINC000001096054
ZINC01096054
ZINC1096054
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