Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(3-bromo-4-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069208
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(c(c1)Br)C)OCC1CCCO1
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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 C20H24BrN3O5S MW 498.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrN3O5S/c1-12-4-5-13(9-15(12)21)18(26)23-20(30)24-7-6-22-19(27)16(24)10-17(25)29-11-14-3-2-8-28-14/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3,(H,22,27)(H,23,26,30)InChIKey
FUXGJFZGKPOBHX-UHFFFAOYSA-NSynonyms
1042069-96-4(TETRAHYDROFURAN2YL)METHYL2(1((3BROMO4METHYLBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
1042069964
CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3)Br
InChI=1SC20H24BrN3O5Sc1124513(915(12)21)18(26)2320(30)24762219(27)16(24)1017(25)2911143282814h4591416H23681011H21H3(H2227)(H232630)
MFCD05877248
OXOLAN2YLMETHYL2(1((3BROMO4METHYLBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((3bromo4methylphenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000009910589
ZINC000009910605
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