Vitas-M small molecule compound

ethyl 1-(2-nitrophenyl)-6-phenyl-8-[4-(propan-2-yl)phenyl]-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate

Catalog ID
STK547624
SMILES CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)C(C)C)c1ccccc1[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 C29H27N5O4S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4S/c1-4-38-28(35)27-31-33(25-12-8-9-13-26(25)34(36)37)29(39-27)19-18-24(22-16-14-21(15-17-22)20(2)3)30-32(29)23-10-6-5-7-11-23/h5-20H,4H2,1-3H3
InChIKey
PTGFEBBVXMWZJD-UHFFFAOYSA-N
Synonyms
381716-38-7
381716387
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)C(C)C)c1ccccc1(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C5=CC=CC=C5(N+)(=O)(O)
ethyl1(2nitrophenyl)6phenyl8(4(propan2yl)phenyl)4thia1267tetraazaspiro(45)deca279triene3carboxylate
ethyl4(2nitrophenyl)10phenyl8(4propan2ylphenyl)1thia34910tetrazaspiro(45)deca268triene2carboxylate
ethyl8(4isopropylphenyl)1(2nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279triene3carboxylate
InChI=1SC29H27N5O4Sc143828(35)273133(2512891326(25)34(36)37)29(3927)191824(22161421(151722)20(2)3)3032(29)23106571123h520H4H213H3
MFCD02998743
ZINC000097951752
ZINC000097951753

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Available files

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