Vitas-M small molecule compound
dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Catalog ID
STL002203
SMILES COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OC)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 C21H18BrN3O4S2 MW 520.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O4S2/c1-13-17(19(26)28-2)30-21(24(13)15-7-5-4-6-8-15)25(16-11-9-14(22)10-12-16)23-18(31-21)20(27)29-3/h4-12H,1-3H3InChIKey
UNRMNYOCVUPXQL-UHFFFAOYSA-NSynonyms
670263-36-2670263362
CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)OC
dimethyl1(4bromophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene37dicarboxylate
dimethyl4(4bromophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene27dicarboxylate
DIMETHYL6(4BROMOPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE38DICARBOXYLATE
InChI=1SC21H18BrN3O4S2c11317(19(26)282)3021(24(13)157546815)25(1611914(22)101216)2318(3121)20(27)293h412H13H3
MFCD04182936
ZINC000002367999
ZINC000002368001
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