Vitas-M small molecule compound
N-{[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK186871
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1CNC(=O)c1cccc(c1)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 C22H22BrN5O2S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN5O2S/c1-3-10-28-19(13-24-21(30)16-7-4-6-15(2)11-16)26-27-22(28)31-14-20(29)25-18-9-5-8-17(23)12-18/h3-9,11-12H,1,10,13-14H2,2H3,(H,24,30)(H,25,29)InChIKey
WLTLJLCTQRQCAN-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br
InChI=1SC22H22BrN5O2Sc13102819(132421(30)1674615(2)1116)262722(28)311420(29)251895817(23)1218h391112H1101314H22H3(H2430)(H2529)
MFCD06629550
N((5((2((3BROMOPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(3BROMOANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000002883362
ZINC02883362
ZINC2883362
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