Vitas-M small molecule compound
ethyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STK997180
SMILES CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)Br)C(=O)C)c1ccccc1
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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 C22H20BrN3O3S2 MW 518.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S2/c1-4-29-21(28)19-14(2)25(17-8-6-5-7-9-17)22(30-19)26(24-20(31-22)15(3)27)18-12-10-16(23)11-13-18/h5-13H,4H2,1-3H3InChIKey
WKLMZJUIZVQCPW-UHFFFAOYSA-NSynonyms
670263-56-6670263566
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C
ethyl2acetyl4(4bromophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
ethyl3acetyl1(4bromophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
ETHYL8ACETYL6(4BROMOPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
InChI=1SC22H20BrN3O3S2c142921(28)1914(2)25(178657917)22(3019)26(2420(3122)15(3)27)18121016(23)111318h513H4H213H3
MFCD03670235
ZINC000002201708
ZINC000002201710
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