Vitas-M small molecule compound
3-chloro-N-({2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}carbamothioyl)-4-ethoxybenzamide
Catalog ID
STK236551
SMILES CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)N(CC)CC
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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 C27H29ClN6O2S MW 537.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN6O2S/c1-5-33(6-2)19-9-11-20(12-10-19)34-31-23-14-17(4)22(16-24(23)32-34)29-27(37)30-26(35)18-8-13-25(36-7-3)21(28)15-18/h8-16H,5-7H2,1-4H3,(H2,29,30,35,37)InChIKey
HGWDKEOHKMUREP-UHFFFAOYSA-NSynonyms
3chloroN((2(4(diethylamino)phenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)4ethoxybenzamide
3CHLORON((2(4(DIETHYLAMINO)PHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)Cl)C
InChI=1SC27H29ClN6O2Sc1533(62)1991120(121019)3431231417(4)22(1624(23)3234)2927(37)3026(35)1881325(3673)21(28)1518h816H57H214H3(H229303537)
MFCD04041377
N(((2(4(DIETHYLAMINO)PHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)(3CHLORO4ETHOXYPHENYL)CARBOXAMIDE
ZINC000004122952
ZINC4122952
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