Vitas-M small molecule compound
3-chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine
Catalog ID
STK792756
SMILES ClC1=C(Oc2c(C(C1=C)c1ccccc1)cccc2)c1cccs1
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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 C21H15ClOS MW 350.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClOS/c1-14-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)23-21(20(14)22)18-12-7-13-24-18/h2-13,19H,1H2InChIKey
RDSNILCNQBWVDJ-UHFFFAOYSA-NSynonyms
696602-74-13chloro4methylene5phenyl2(thiophen2yl)45dihydrobenzo(b)oxepine
3chloro4methylidene5phenyl2(thiophen2yl)45dihydro1benzoxepine
3CHLORO4METHYLIDENE5PHENYL2THIOPHEN2YL5H1BENZOXEPINE
696602741
C=C1C(C2=CC=CC=C2OC(=C1Cl)C3=CC=CS3)C4=CC=CC=C4
InChI=1SC21H15ClOSc11419(158324915)1610561117(16)2321(20(14)22)18127132418h21319H1H2
MFCD05260289
ZINC000002447628
ZINC000002447629
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