Vitas-M small molecule compound
(2E)-N-benzyl-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbothioamide
Catalog ID
STL416990
SMILES S=C(NCc1ccccc1)N/N=C/c1cc2OCOc2cc1Cl
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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 C16H14ClN3O2S MW 347.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O2S/c17-13-7-15-14(21-10-22-15)6-12(13)9-19-20-16(23)18-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,18,20,23)/b19-9+InChIKey
KQLNQHZWQXEHOY-DJKKODMXSA-NSynonyms
(((1E)2(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))1AZAVINYL)AMINO)(BENZYLAMINO)METHANE1THIONE
(2E)Nbenzyl2((6chloro13benzodioxol5yl)methylidene)hydrazinecarbothioamide
1benzyl3((E)(6chloro13benzodioxol5yl)methylideneamino)thiourea
C1OC2=C(O1)C=C(C(=C2)C=NNC(=S)NCC3=CC=CC=C3)Cl
InChI=1SC16H14ClN3O2Sc171371514(21102215)612(13)9192016(23)188114213511h179H810H2(H2182023)b199+
MFCD02630458
S=C(NCc1ccccc1)NN=Cc1cc2OCOc2cc1Cl
ZINC000005773454
ZINC33404298
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