Vitas-M small molecule compound

(2E)-2-{3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-N-ethylhydrazinecarbothioamide

Catalog ID
STK175331
SMILES CCNC(=S)N/N=C/c1ccc(c(c1)Br)Oc1ccc(cc1[N+](=O)[O-])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 C17H14BrF3N4O3S MW 491.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrF3N4O3S/c1-2-22-16(29)24-23-9-10-3-5-14(12(18)7-10)28-15-6-4-11(17(19,20)21)8-13(15)25(26)27/h3-9H,2H2,1H3,(H2,22,24,29)/b23-9+
InChIKey
RPPHPHSROOUMIG-NUGSKGIGSA-N
Synonyms

(2E)2(3BROMO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)NETHYLHYDRAZINECARBOTHIOAMIDE
1((E)(3bromo4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)3ethylthiourea
CCNC(=S)NN=CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))Br
CCNC(=S)NN=Cc1ccc(c(c1)Br)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC17H14BrF3N4O3Sc122216(29)24239103514(12(18)710)28156411(17(1920)21)813(15)25(26)27h39H2H21H3(H2222429)b239+
MFCD07065620
ZINC000009235135
ZINC96836801

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Available files

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