Vitas-M small molecule compound
N-(4-chlorobenzyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide
Catalog ID
STK491286
SMILES Clc1ccc(cc1)CNC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]
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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 C21H18Cl2N4O3S2 MW 509.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4O3S2/c22-14-3-1-13(2-4-14)12-24-21(31)26-9-7-25(8-10-26)20(28)19-18(23)16-6-5-15(27(29)30)11-17(16)32-19/h1-6,11H,7-10,12H2,(H,24,31)InChIKey
CRHIUCYDEJEPGH-UHFFFAOYSA-NSynonyms
3CHLORO6NITROBENZO(B)THIOPHEN2YL4((((4CHLOROPHENYL)METHYL)AMINO)THIOXOMETHYL)PIPERAZINYLKETONE
4(3chloro6nitro1benzothiophene2carbonyl)N((4chlorophenyl)methyl)piperazine1carbothioamide
C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)C(=S)NCC4=CC=C(C=C4)Cl
Clc1ccc(cc1)CNC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC21H18Cl2N4O3S2c22143113(2414)122421(31)269725(81026)20(28)1918(23)166515(27(29)30)1117(16)3219h1611H71012H2(H2431)
MFCD06037329
N(4chlorobenzyl)4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazine1carbothioamide
ZINC000013784377
ZINC13784377
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