Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783142
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1scc(c1)Cn1ncnc1)N
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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 C24H22N6O2S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O2S/c1-32-17-7-5-16(6-8-17)30-19-3-2-4-20(31)23(19)22(18(10-25)24(30)26)21-9-15(12-33-21)11-29-14-27-13-28-29/h5-9,12-14,22H,2-4,11,26H2,1H3InChIKey
LFHUQHHALPNBAX-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydroquinoline3carbonitrile
2amino1(4methoxyphenyl)5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)CCC3
InChI=1SC24H22N6O2Sc132177516(6817)301932420(31)23(19)22(18(1025)24(30)26)21915(123321)11291427132829h59121422H241126H21H3
MFCD06617584
ZINC000012420845
ZINC000012420847
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