Vitas-M small molecule compound

N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-2-methoxy-3-methylbenzamide

Catalog ID
STK254868
SMILES COc1c(C)cccc1C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[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 C20H21ClN4O4S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O4S/c1-13-4-3-5-15(18(13)29-2)19(26)22-20(30)24-10-8-23(9-11-24)17-7-6-14(25(27)28)12-16(17)21/h3-7,12H,8-11H2,1-2H3,(H,22,26,30)
InChIKey
NVGNFWPKYWCHMX-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1OC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1c(C)cccc1C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC20H21ClN4O4Sc11343515(18(13)292)19(26)2220(30)2410823(91124)177614(25(27)28)1216(17)21h3712H811H212H3(H222630)
MFCD03922773
N((4(2chloro4nitrophenyl)piperazin1yl)carbonothioyl)2methoxy3methylbenzamide
N(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)2METHOXY3METHYLBENZAMIDE
ZINC000009669131
ZINC09669131
ZINC9669131

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Available files

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