Vitas-M small molecule compound

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

Catalog ID
STK844394
SMILES CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccccc1C)C(=O)C)c1ccccc1

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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 C23H23N3O3S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S2/c1-5-29-22(28)20-16(3)25(18-12-7-6-8-13-18)23(30-20)26(24-21(31-23)17(4)27)19-14-10-9-11-15(19)2/h6-14H,5H2,1-4H3
InChIKey
NOIYYGPRHYYNIN-UHFFFAOYSA-N
Synonyms
670263-51-1
670263511
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=CC=C3C)C4=CC=CC=C4)C
ethyl2acetyl8methyl4(2methylphenyl)9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
ethyl3acetyl8methyl1(2methylphenyl)9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
ethyl3acetyl8methyl9phenyl1(otolyl)46dithia129triazaspiro(44)nona27diene7carboxylate
ETHYL8ACETYL2METHYL6(2METHYLPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
InChI=1SC23H23N3O3S2c152922(28)2016(3)25(18127681318)23(3020)26(2421(3123)17(4)27)19141091115(19)2h614H5H214H3
MFCD03670505
ZINC000001833663
ZINC000001833664

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.