Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(4-ethoxyphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL065078
SMILES CCOc1ccc(cc1)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-2-28-15-7-5-14(6-8-15)19(26)23-21(31)24-10-9-22-20(27)17(24)12-18(25)30-13-16-4-3-11-29-16/h5-8,16-17H,2-4,9-13H2,1H3,(H,22,27)(H,23,26,31)InChIKey
BDBNHRYTTBNGFS-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3
InChI=1SC21H27N3O6Sc1228157514(6815)19(26)2321(31)241092220(27)17(24)1218(25)30131643112916h581617H24913H21H3(H2227)(H232631)
MFCD05881056
OXOLAN2YLMETHYL2(1((4ETHOXYBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((4ethoxyphenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000012137105
ZINC000012137108
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