Vitas-M small molecule compound
2-(4-methylphenoxy)-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}acetamide
Catalog ID
STK080747
SMILES O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1)C
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-15-2-8-18(9-3-15)28-14-19(25)21-20(29)23-12-10-22(11-13-23)16-4-6-17(7-5-16)24(26)27/h2-9H,10-14H2,1H3,(H,21,25,29)InChIKey
KGNYRIVTTNKCCK-UHFFFAOYSA-NSynonyms
2(4METHYLPHENOXY)N((4(4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)ACETAMIDE
2(4METHYLPHENOXY)N(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)ACETAMIDE
CC1=CC=C(C=C1)OCC(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H22N4O4Sc1152818(9315)281419(25)2120(29)23121022(111323)164617(7516)24(26)27h29H1014H21H3(H212529)
MFCD02624872
N(4(4nitrophenyl)piperazine1carbonothioyl)2(ptolyloxy)acetamide
O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))COc1ccc(cc1)C
STK080747
ZINC000004663053
ZINC04663053
ZINC4663053
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