Vitas-M small molecule compound

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

Catalog ID
STK219204
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1Br

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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 C20H19BrN4O3S MW 475.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O3S/c1-25-18(11-22-19(27)15-5-3-4-6-16(15)21)23-24-20(25)29-12-17(26)13-7-9-14(28-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,22,27)
InChIKey
HLYCWQPMVMCFKZ-UHFFFAOYSA-N
Synonyms

2BROMON((5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((5(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br
InChI=1SC20H19BrN4O3Sc12518(112219(27)15534616(15)21)232420(25)291217(26)137914(282)10813h310H1112H212H3(H2227)
MFCD06628555
ZINC000002881709
ZINC02881709
ZINC2881709

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Available files

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