Vitas-M small molecule compound
N-(2-bromo-4,5-dimethylphenyl)-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK131370
SMILES C=CCn1c(SCC(=O)Nc2cc(C)c(cc2Br)C)nnc1COc1ccccc1
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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 C22H23BrN4O2S MW 487.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O2S/c1-4-10-27-20(13-29-17-8-6-5-7-9-17)25-26-22(27)30-14-21(28)24-19-12-16(3)15(2)11-18(19)23/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,24,28)InChIKey
TZJYDLWEYLFSHJ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3
InChI=1SC22H23BrN4O2Sc14102720(1329178657917)252622(27)301421(28)24191216(3)15(2)1118(19)23h491112H1101314H223H3(H2428)
MFCD04403402
N(2BROMO45DIMETHYLPHENYL)2((5(PHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO45DIMETHYLPHENYL)2((5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001121631
ZINC01121631
ZINC1121631
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