Vitas-M small molecule compound

methyl 7-acetyl-8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate

Catalog ID
STK865597
SMILES COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)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 C21H19N3O3S2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S2/c1-14-18(15(2)25)28-21(23(14)16-10-6-4-7-11-16)24(17-12-8-5-9-13-17)22-19(29-21)20(26)27-3/h4-13H,1-3H3
InChIKey
AGRJDWBLNSSGEW-UHFFFAOYSA-N
Synonyms
524033-23-6
524033236
7ACETYL8METHYL19DIPHENYL46DITHIA129TRIAZASPIRO(44)NONA27DIENE3CARBOXYLICACIDMETHYLESTER
7ACETYL8METHYL49DIPHENYL16DITHIA349TRIAZASPIRO(44)NONA27DIENE2CARBOXYLICACIDMETHYLESTER
CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=CC=C4)C(=O)C
InChI=1SC21H19N3O3S2c11418(15(2)25)2821(23(14)16106471116)24(17128591317)2219(2921)20(26)273h413H13H3
METHYL3ACETYL2METHYL16DIPHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
methyl7acetyl8methyl19diphenyl46dithia129triazaspiro(44)nona27diene3carboxylate
METHYL7ACETYL8METHYL49DIPHENYL16DITHIA349TRIAZASPIRO(44)NONA27DIENE2CARBOXYLATE
METHYL7ETHANOYL8METHYL49DIPHENYL16DITHIA349TRIAZASPIRO(44)NONA27DIENE2CARBOXYLATE
MFCD03614845
ZINC000001835832
ZINC000001835833

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Available files

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