Vitas-M small molecule compound

3-bromo-4-methoxy-N-[(3-oxopiperazin-1-yl)carbonothioyl]benzamide

Catalog ID
STL064196
SMILES COc1ccc(cc1Br)C(=O)NC(=S)N1CCNC(=O)C1

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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 C13H14BrN3O3S MW 372.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14BrN3O3S/c1-20-10-3-2-8(6-9(10)14)12(19)16-13(21)17-5-4-15-11(18)7-17/h2-3,6H,4-5,7H2,1H3,(H,15,18)(H,16,19,21)
InChIKey
UGMJLPMDTMUYDV-UHFFFAOYSA-N
Synonyms
817569-05-4
3BROMO4METHOXYN((3OXO1PIPERAZINYL)CARBONOTHIOYL)BENZAMIDE
3BROMO4METHOXYN((3OXO1PIPERAZINYL)CARBOTHIOYL)BENZAMIDE
3bromo4methoxyN((3oxopiperazin1yl)carbonothioyl)benzamide
3BROMO4METHOXYN(3OXOPIPERAZINE1CARBOTHIOYL)BENZAMIDE
817569054
COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2)Br
InChI=1SC13H14BrN3O3Sc12010328(69(10)14)12(19)1613(21)17541511(18)717h236H457H21H3(H1518)(H161921)
MFCD05085120
ZINC000002881908
ZINC02881908
ZINC2881908

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Available files

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