Vitas-M small molecule compound

(1S)-N-{4-[(4-methoxy-1,2,5-thiadiazol-3-yl)sulfamoyl]phenyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

Catalog ID
STL553206
SMILES COc1nsnc1NS(=O)(=O)c1ccc(cc1)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

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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 C21H22N6O4S3 MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S3/c1-31-20-19(23-33-24-20)25-34(29,30)16-7-5-15(6-8-16)22-21(32)26-10-13-9-14(12-26)17-3-2-4-18(28)27(17)11-13/h2-8,13-14H,9-12H2,1H3,(H,22,32)(H,23,25)/t13-,14?/m0/s1
InChIKey
MRQNJLSAPXCBIC-LSLKUGRBSA-N
Synonyms
1212362-83-8
(1R5R)N(4(N(4methoxy125thiadiazol3yl)sulfamoyl)phenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S)N(4((4methoxy125thiadiazol3yl)sulfamoyl)phenyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
(9~(R))~(N)(4((4methoxy125thiadiazol3yl)sulfamoyl)phenyl)6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioamide
1212362838
16403560
COc1nsnc1NS(=O)(=O)c1ccc(cc1)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H22N6O4S3c1312019(23332420)2534(2930)167515(6816)2221(32)261013914(1226)1732418(28)27(17)1113h281314H912H21H3(H2232)(H2325)t1314?m0s1
ZINC000002138886

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Available files

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