Vitas-M small molecule compound

ethyl 7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate

Catalog ID
STL056942
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)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 C22H20N4O5S2 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S2/c1-4-31-21(28)20-23-25(17-10-12-18(13-11-17)26(29)30)22(33-20)24(16-8-6-5-7-9-16)14(2)19(32-22)15(3)27/h5-13H,4H2,1-3H3
InChIKey
KFZAWYGJSXAKCC-UHFFFAOYSA-N
Synonyms
670263-10-2
670263102
CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccc(cc1)(N+)(=O)(O)
ETHYL3ACETYL2METHYL6(4NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
ethyl7acetyl8methyl1(4nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene3carboxylate
ETHYL7ACETYL8METHYL4(4NITROPHENYL)9PHENYL16DITHIA349TRIAZASPIRO(44)NONA27DIENE2CARBOXYLATE
InChI=1SC22H20N4O5S2c143121(28)202325(17101218(131117)26(29)30)22(3320)24(168657916)14(2)19(3222)15(3)27h513H4H213H3
MFCD04222959
ZINC000009009344
ZINC000009009345

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Available files

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