Vitas-M small molecule compound

2-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide

Catalog ID
STK246003
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1Cc1ccccc1

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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 C20H19BrN4OS MW 443.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4OS/c1-2-11-25-18(12-15-7-4-3-5-8-15)23-24-20(25)27-14-19(26)22-17-10-6-9-16(21)13-17/h2-10,13H,1,11-12,14H2,(H,22,26)
InChIKey
MTDHCVRKGQHAJO-UHFFFAOYSA-N
Synonyms

2((5BENZYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(3BROMOPHENYL)ACETAMIDE
2((5BENZYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3BROMOPHENYL)ACETAMIDE
2(4ALLYL5BENZYL4H(124)TRIAZOL3YLSULFANYL)N(3BROMOPHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3
InChI=1SC20H19BrN4OSc12112518(12157435815)232420(25)271419(26)2217106916(21)1317h21013H1111214H2(H2226)
MFCD06000453
ZINC000001075124
ZINC01075124
ZINC1075124

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Available files

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