Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(3-chlorophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069199
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)Cl)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 C19H22ClN3O5S MW 439.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O5S/c20-13-4-1-3-12(9-13)17(25)22-19(29)23-7-6-21-18(26)15(23)10-16(24)28-11-14-5-2-8-27-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,21,26)(H,22,25,29)InChIKey
DDBYWWUJLWMZRW-UHFFFAOYSA-NSynonyms
C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC(=CC=C3)Cl
InChI=1SC19H22ClN3O5Sc201341312(913)17(25)2219(29)23762118(26)15(23)1016(24)2811145282714h13491415H2581011H2(H2126)(H222529)
MFCD05877264
OXOLAN2YLMETHYL2(1((3CHLOROBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((3chlorophenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000012136961
ZINC000012136964
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