Vitas-M small molecule compound

3-bromo-N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-ethoxybenzamide

Catalog ID
STK065442
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(c(c1)Cl)OC

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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 C24H21BrClN5O3S MW 574.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrClN5O3S/c1-4-34-21-7-5-14(10-16(21)25)23(32)28-24(35)27-18-12-20-19(9-13(18)2)29-31(30-20)15-6-8-22(33-3)17(26)11-15/h5-12H,4H2,1-3H3,(H2,27,28,32,35)
InChIKey
CARTWSYUEIFHCL-UHFFFAOYSA-N
Synonyms

3BROMON((2(3CHLORO4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
3BROMON((2(3CHLORO4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC(=C(C=C4)OC)Cl)Br
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(c(c1)Cl)OC
InChI=1SC24H21BrClN5O3Sc1434217514(1016(21)25)23(32)2824(35)2718122019(913(18)2)2931(3020)156822(333)17(26)1115h512H4H213H3(H227283235)
MFCD03079339
N(3BROMO4ETHOXYBENZOYL)N(2(3CHLORO4METHOXYPHENYL)6METHYL2H123BENZOTRIAZOL5YL)THIOUREA
STK065442
ZINC000002126334
ZINC02126334
ZINC2126334

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Available files

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