Vitas-M small molecule compound
3-chloro-N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK013186
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1)Cl
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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 C22H18ClN5O2S MW 451.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O2S/c1-13-10-19-20(27-28(26-19)16-6-8-17(30-2)9-7-16)12-18(13)24-22(31)25-21(29)14-4-3-5-15(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)InChIKey
QMKKRWQLBXAIRY-UHFFFAOYSA-NSynonyms
347332-37-0347332370
3chloroN((2(4methoxyphenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
3CHLORON((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
3CHLORON((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1)Cl
InChI=1SC22H18ClN5O2Sc113101920(2728(2619)166817(302)9716)1218(13)2422(31)2521(29)1443515(23)1114h312H12H3(H224252931)
MFCD02628618
STK013186
ZINC000002447415
ZINC02447415
ZINC2447415
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