Vitas-M small molecule compound
2-(4-chloro-2-methylphenoxy)-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}acetamide
Catalog ID
STK036230
SMILES O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1C)Cl
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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 C20H21ClN4O4S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O4S/c1-14-12-15(21)2-7-18(14)29-13-19(26)22-20(30)24-10-8-23(9-11-24)16-3-5-17(6-4-16)25(27)28/h2-7,12H,8-11,13H2,1H3,(H,22,26,30)InChIKey
UWLPYIIFLPZXAP-UHFFFAOYSA-NSynonyms
364619-96-52(4CHLORO2METHYLPHENOXY)N((4(4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)ACETAMIDE
2(4chloro2methylphenoxy)N(4(4nitrophenyl)piperazine1carbonothioyl)acetamide
2(4CHLORO2METHYLPHENOXY)N(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)ACETAMIDE
364619965
CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H21ClN4O4Sc1141215(21)2718(14)291319(26)2220(30)2410823(91124)163517(6416)25(27)28h2712H81113H21H3(H222630)
MFCD03009835
O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))COc1ccc(cc1C)Cl
STK036230
ZINC000009086395
ZINC09086395
ZINC9086395
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.