Vitas-M small molecule compound
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]-N-[(2Z)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]acetamide
Catalog ID
STL159477
SMILES COc1cc(F)ccc1c1ccc(=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 C21H21FN4O3S MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O3S/c1-29-17-11-13(22)7-8-14(17)15-9-10-20(28)26(25-15)12-19(27)24-21-23-16-5-3-2-4-6-18(16)30-21/h7-11H,2-6,12H2,1H3,(H,23,24,27)InChIKey
JBIBZCVPUWQIHL-UHFFFAOYSA-NSynonyms
1282109-53-81282109538
2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)N((2Z)345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)acetamide
2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)N(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)acetamide
COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)CC(=O)NC3=NC4=C(S3)CCCCC4
COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)N=c1sc2c((nH)1)CCCCC2
InChI=1SC21H21FN4O3Sc129171113(22)7814(17)1591020(28)26(2515)1219(27)242123165324618(16)3021h711H2612H21H3(H232427)
MFCD20758694
ZINC000061717625
ZINC61717625
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