Vitas-M small molecule compound
2-phenylethyl (1-{[(3-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL065004
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)[N+](=O)[O-])OCCc1ccccc1
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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 C22H22N4O6S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S/c27-19(32-12-9-15-5-2-1-3-6-15)14-18-21(29)23-10-11-25(18)22(33)24-20(28)16-7-4-8-17(13-16)26(30)31/h1-8,13,18H,9-12,14H2,(H,23,29)(H,24,28,33)InChIKey
PCHIYOBTSHBXQZ-UHFFFAOYSA-NSynonyms
2phenylethyl(1(((3nitrophenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
2phenylethyl2(1((3nitrobenzoyl)carbamothioyl)3oxopiperazin2yl)acetate
C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H22N4O6Sc2719(32129155213615)141821(29)23101125(18)22(33)2420(28)1674817(1316)26(30)31h181318H91214H2(H2329)(H242833)
MFCD05880387
O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)(N+)(=O)(O))OCCc1ccccc1
PHENETHYL2(1((3NITROBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000012137536
ZINC000012137537
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