Vitas-M small molecule compound
4-{(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl}phenyl (2E)-3-(4-chlorophenyl)prop-2-enoate
Catalog ID
STK861654
SMILES C=CCNC(=S)N/N=C/c1ccc(cc1)OC(=O)/C=C/c1ccc(cc1)Cl
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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 C20H18ClN3O2S MW 399.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O2S/c1-2-13-22-20(27)24-23-14-16-5-10-18(11-6-16)26-19(25)12-7-15-3-8-17(21)9-4-15/h2-12,14H,1,13H2,(H2,22,24,27)/b12-7+,23-14+InChIKey
YKVAGJHKALBCKY-HGQGUNNCSA-NSynonyms
(4((E)(prop2enylcarbamothioylhydrazinylidene)methyl)phenyl)(E)3(4chlorophenyl)prop2enoate
4((E)(2(prop2en1ylcarbamothioyl)hydrazinylidene)methyl)phenyl(2E)3(4chlorophenyl)prop2enoate
C=CCNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)Cl
C=CCNC(=S)NN=Cc1ccc(cc1)OC(=O)C=Cc1ccc(cc1)Cl
InChI=1SC20H18ClN3O2Sc12132220(27)2423141651018(11616)2619(25)127153817(21)9415h21214H113H2(H2222427)b127+2314+
MFCD01458622
ZINC000002702074
ZINC102794601
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