Vitas-M small molecule compound
N-{[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-methylbutanamide
Catalog ID
STK086751
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)CC(C)C
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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 C21H25N5O2S MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S/c1-5-28-16-8-6-15(7-9-16)26-24-18-11-14(4)17(12-19(18)25-26)22-21(29)23-20(27)10-13(2)3/h6-9,11-13H,5,10H2,1-4H3,(H2,22,23,27,29)InChIKey
PHNMIJVVOTWHEA-UHFFFAOYSA-NSynonyms
445417-19-6445417196
CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC(C)C)C
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)CC(C)C
InChI=1SC21H25N5O2Sc1528168615(7916)2624181114(4)17(1219(18)2526)2221(29)2320(27)1013(2)3h691113H510H214H3(H222232729)
MFCD03270881
N((2(4ethoxyphenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)3methylbutanamide
N((2(4ETHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3METHYLBUTANAMIDE
N((2(4ETHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3METHYLBUTANAMIDE
N(2(4ETHOXYPHENYL)6METHYL2H123BENZOTRIAZOL5YL)N(3METHYLBUTANOYL)THIOUREA
STK086751
ZINC000000678836
ZINC00678836
ZINC678836
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