Vitas-M small molecule compound
cyclohexyl (1-{[(4-ethoxyphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL065081
SMILES CCOc1ccc(cc1)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC1CCCCC1
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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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-2-29-16-10-8-15(9-11-16)20(27)24-22(31)25-13-12-23-21(28)18(25)14-19(26)30-17-6-4-3-5-7-17/h8-11,17-18H,2-7,12-14H2,1H3,(H,23,28)(H,24,27,31)InChIKey
QWHLPVVUKHDQOL-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3
cyclohexyl(1(((4ethoxyphenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
CYCLOHEXYL2(1((4ETHOXYBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
InChI=1SC22H29N3O5Sc12291610815(91116)20(27)2422(31)2513122321(28)18(25)1419(26)30176435717h8111718H271214H21H3(H2328)(H242731)
MFCD05881066
ZINC000012137102
ZINC000012137103
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