Vitas-M small molecule compound

N-[(2E)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide

Catalog ID
STL157614
SMILES O=C(Cn1nc2CCCCCc2cc1=O)/N=c/1\[nH]nc(s1)Cc1ccccc1

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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 C20H21N5O2S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S/c26-17(13-25-19(27)12-15-9-5-2-6-10-16(15)24-25)21-20-23-22-18(28-20)11-14-7-3-1-4-8-14/h1,3-4,7-8,12H,2,5-6,9-11,13H2,(H,21,23,26)
InChIKey
PIAHOUFLUNILAM-UHFFFAOYSA-N
Synonyms
1282101-45-4
1282101454
C1CCC2=CC(=O)N(N=C2CC1)CC(=O)NC3=NN=C(S3)CC4=CC=CC=C4
InChI=1SC20H21N5O2Sc2617(132519(27)121595261016(15)2425)2120232218(2820)11147314814h1347812H25691113H2(H212326)
MFCD20758070
N((2E)5benzyl134thiadiazol2(3H)ylidene)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
N(5benzyl134thiadiazol2yl)2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetamide
O=C(Cn1nc2CCCCCc2cc1=O)N=c1(nH)nc(s1)Cc1ccccc1
ZINC000061721812
ZINC61721812

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Available files

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