Vitas-M small molecule compound
4-{(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl}phenyl (2E)-3-(2-chlorophenyl)prop-2-enoate
Catalog ID
STK861661
SMILES C=CCNC(=S)N/N=C/c1ccc(cc1)OC(=O)/C=C/c1ccccc1Cl
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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)24-23-14-15-7-10-17(11-8-15)26-19(25)12-9-16-5-3-4-6-18(16)21/h2-12,14H,1,13H2,(H2,22,24,27)/b12-9+,23-14+InChIKey
DLWUHDRWCAALEP-IVSAPZPHSA-NSynonyms
(4((E)(prop2enylcarbamothioylhydrazinylidene)methyl)phenyl)(E)3(2chlorophenyl)prop2enoate
4((E)(2(prop2en1ylcarbamothioyl)hydrazinylidene)methyl)phenyl(2E)3(2chlorophenyl)prop2enoate
C=CCNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C=CC2=CC=CC=C2Cl
C=CCNC(=S)NN=Cc1ccc(cc1)OC(=O)C=Cc1ccccc1Cl
InChI=1SC20H18ClN3O2Sc12132220(27)2423141571017(11815)2619(25)12916534618(16)21h21214H113H2(H2222427)b129+2314+
MFCD01458629
ZINC000002702124
ZINC102794613
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