Vitas-M small molecule compound
2-chloro-N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK173316
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=S)NC(=O)c1ccccc1Cl
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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 C18H16Cl2N4O3S MW 439.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N4O3S/c19-12-5-6-15(16(11-12)24(26)27)22-7-9-23(10-8-22)18(28)21-17(25)13-3-1-2-4-14(13)20/h1-6,11H,7-10H2,(H,21,25,28)InChIKey
JIAGYABXKFVHCL-UHFFFAOYSA-NSynonyms
2CHLORON((4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
2CHLORON(4(4CHLORO2NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
C1CN(CCN1C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=S)NC(=O)C3=CC=CC=C3Cl
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=S)NC(=O)c1ccccc1Cl
InChI=1SC18H16Cl2N4O3Sc19125615(16(1112)24(26)27)227923(10822)18(28)2117(25)13312414(13)20h1611H710H2(H212528)
MFCD02802004
ZINC000009892080
ZINC09892080
ZINC9892080
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