Vitas-M small molecule compound

4-chloro-N-{[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]carbamothioyl}benzamide

Catalog ID
STK023173
SMILES S=C(NC(=O)c1ccc(cc1)Cl)Nc1cc(N2CCOCC2)c(cc1C)[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 C19H19ClN4O4S MW 434.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4O4S/c1-12-10-17(24(26)27)16(23-6-8-28-9-7-23)11-15(12)21-19(29)22-18(25)13-2-4-14(20)5-3-13/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)
InChIKey
NABDEIYGHUFNNV-UHFFFAOYSA-N
Synonyms

(4CHLOROPHENYL)N(((2METHYL5MORPHOLIN4YL4NITROPHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
4CHLORON((2METHYL5(MORPHOLIN4YL)4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
4CHLORON((2METHYL5MORPHOLIN4YL4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
4chloroN((2methyl5morpholino4nitrophenyl)carbamothioyl)benzamide
CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3)(N+)(=O)(O)
InChI=1SC19H19ClN4O4Sc1121017(24(26)27)16(2368289723)1115(12)2119(29)2218(25)132414(20)5313h251011H69H21H3(H221222529)
MFCD02625933
N(4CHLOROBENZOYL)N(4NITRO2METHYL5(4MORPHOLINYL)PHENYL)THIOUREA
S=C(NC(=O)c1ccc(cc1)Cl)Nc1cc(N2CCOCC2)c(cc1C)(N+)(=O)(O)
STK023173
ZINC000008385426
ZINC08385426
ZINC8385426

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.