Vitas-M small molecule compound
ethyl 7-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Catalog ID
STK845521
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccc(cc1)Br
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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)20-24-26(18-12-10-16(23)11-13-18)22(31-20)25(17-8-6-5-7-9-17)14(2)19(30-22)15(3)27/h5-13H,4H2,1-3H3InChIKey
PAPLNLOOEBTREX-UHFFFAOYSA-NSynonyms
577699-98-0577699980
CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=C(C=C4)Br
ETHYL3ACETYL6(4BROMOPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
ethyl7acetyl1(4bromophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene3carboxylate
ethyl7acetyl4(4bromophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene2carboxylate
InChI=1SC22H20BrN3O3S2c142921(28)202426(18121016(23)111318)22(3120)25(178657917)14(2)19(3022)15(3)27h513H4H213H3
MFCD04027881
ZINC000002382450
ZINC000002382452
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