Vitas-M small molecule compound
methyl 3-(3-chlorophenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094739
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1cccc(c1)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 C20H19ClN2O4S MW 418.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4S/c1-20-15(18(24)26-3)16(13-8-5-9-14(25-2)17(13)27-20)22-19(28)23(20)12-7-4-6-11(21)10-12/h4-10,15-16H,1-3H3,(H,22,28)InChIKey
DDHAKZJUMVRGRL-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC(=CC=C4)Cl)C(=O)OC
InChI=1SC20H19ClN2O4Sc12015(18(24)263)16(1385914(252)17(13)2720)2219(28)23(20)1274611(21)1012h4101516H13H3(H2228)
methyl3(3chlorophenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788181
ZINC000106550061
ZINC000106550063
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