Vitas-M small molecule compound
methyl 8-(4-chlorophenyl)-1-(4-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Catalog ID
STL000602
SMILES COC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-]
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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 C25H18ClN5O4S MW 519.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN5O4S/c1-35-24(32)23-28-30(20-11-13-21(14-12-20)31(33)34)25(36-23)16-15-22(17-7-9-18(26)10-8-17)27-29(25)19-5-3-2-4-6-19/h2-16H,1H3InChIKey
SZTVBADVPQSJOP-UHFFFAOYSA-NSynonyms
668446-38-6668446386
COC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Cl)c1ccc(cc1)(N+)(=O)(O)
COC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H18ClN5O4Sc13524(32)232830(20111321(141220)31(33)34)25(3623)161522(177918(26)10817)2729(25)195324619h216H1H3
methyl8(4chlorophenyl)1(4nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279triene3carboxylate
methyl8(4chlorophenyl)4(4nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca268triene2carboxylate
MFCD03672671
ZINC000097951919
ZINC000097951920
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