Vitas-M small molecule compound

3-chloro-4-methyl-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide

Catalog ID
STK336668
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(c(c1)Cl)C

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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 C20H19ClF3N3OS MW 441.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClF3N3OS/c1-12-4-5-13(10-15(12)21)18(28)26-19(29)25-16-11-14(20(22,23)24)6-7-17(16)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9H2,1H3,(H2,25,26,28,29)
InChIKey
ZKDUGZFNWMRZFB-UHFFFAOYSA-N
Synonyms

(3CHLORO4METHYLPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
1(3CHLORO4METHYLBENZOYL)3(2PYRROLIDIN1YL5TRIFLUOROMETHYLPHENYL)THIOUREA
3chloro4methylN((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)benzamide
3CHLORO4METHYLN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Cl
InChI=1SC20H19ClF3N3OSc1124513(1015(12)21)18(28)2619(29)25161114(20(2223)24)6717(16)27823927h471011H2389H21H3(H225262829)
MFCD04966561
ZINC000004109830
ZINC04109830
ZINC4109830

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Available files

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