Vitas-M small molecule compound
N-[(2Z)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
Catalog ID
STL160406
SMILES COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)/N=c/1\sc2c([nH]1)CCCCC2
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-28-15-7-5-6-14(12-15)16-10-11-20(27)25(24-16)13-19(26)23-21-22-17-8-3-2-4-9-18(17)29-21/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,22,23,26)InChIKey
OKJKVLVMMQIAIR-UHFFFAOYSA-NSynonyms
1282098-06-91282098069
2(3(3methoxyphenyl)6oxopyridazin1yl)N(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)acetamide
COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=NC4=C(S3)CCCCC4
COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)N=c1sc2c((nH)1)CCCCC2
InChI=1SC21H22N4O3Sc1281575614(1215)16101120(27)25(2416)1319(26)232122178324918(17)2921h571012H248913H21H3(H222326)
MFCD20759018
N((2Z)345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)2(3(3methoxyphenyl)6oxopyridazin1(6H)yl)acetamide
ZINC000061719938
ZINC61719938
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