Vitas-M small molecule compound

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

Catalog ID
STK251963
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F

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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 C20H19BrF3N3O2S MW 502.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrF3N3O2S/c1-29-17-7-4-12(10-14(17)21)18(28)26-19(30)25-15-11-13(20(22,23)24)5-6-16(15)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9H2,1H3,(H2,25,26,28,30)
InChIKey
XAAFBGYBHBJMAJ-UHFFFAOYSA-N
Synonyms

(3BROMO4METHOXYPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
3BROMO4METHOXYN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
3BROMO4METHOXYN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Br
InChI=1SC20H19BrF3N3O2Sc129177412(1014(17)21)18(28)2619(30)25151113(20(2223)24)5616(15)27823927h471011H2389H21H3(H225262830)
MFCD03650508
ZINC000002594377
ZINC02594377
ZINC2594377

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Available files

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