Vitas-M small molecule compound

N-(2-bromo-4,5-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK139677
SMILES COc1ccc(cc1)c1nnc([nH]1)SCC(=O)Nc1cc(C)c(cc1Br)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 C19H19BrN4O2S MW 447.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4O2S/c1-11-8-15(20)16(9-12(11)2)21-17(25)10-27-19-22-18(23-24-19)13-4-6-14(26-3)7-5-13/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKey
RNGLYFOUSIAGNQ-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc((nH)1)SCC(=O)Nc1cc(C)c(cc1Br)C
InChI=1SC19H19BrN4O2Sc111815(20)16(912(11)2)2117(25)1027192218(232419)134614(263)7513h49H10H213H3(H2125)(H222324)
MFCD06662645
N(2BROMO45DIMETHYLPHENYL)2((5(4METHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO45DIMETHYLPHENYL)2((5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009261678
ZINC09261678
ZINC9261678

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Available files

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