Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(3-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069194
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)[N+](=O)[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 C19H22N4O7S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O7S/c24-16(30-11-14-5-2-8-29-14)10-15-18(26)20-6-7-22(15)19(31)21-17(25)12-3-1-4-13(9-12)23(27)28/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,20,26)(H,21,25,31)InChIKey
RNTVHLVRYJHPAQ-UHFFFAOYSA-NSynonyms
1043503-36-1(TETRAHYDROFURAN2YL)METHYL2(1((3NITROBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
1043503361
C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H22N4O7Sc2416(3011145282914)101518(26)206722(15)19(31)2117(25)1231413(912)23(27)28h13491415H2581011H2(H2026)(H212531)
MFCD05877226
O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)(N+)(=O)(O))OCC1CCCO1
OXOLAN2YLMETHYL2(1((3NITROBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((3nitrophenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000009910534
ZINC000009910554
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