Vitas-M small molecule compound
2-amino-1-(5-methyl-1,2-oxazol-3-yl)-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
STK783445
SMILES N#CC1=C(N)N(c2noc(c2)C)C2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CCC2
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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 C21H19N7O2S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O2S/c1-12-5-18(26-30-12)28-15-3-2-4-16(29)20(15)19(14(7-22)21(28)23)17-6-13(9-31-17)8-27-11-24-10-25-27/h5-6,9-11,19H,2-4,8,23H2,1H3InChIKey
VPWWKXFZQAELEE-UHFFFAOYSA-NSynonyms
2amino1(5methyl12oxazol3yl)5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydroquinoline3carbonitrile
2amino1(5methyl12oxazol3yl)5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
CC1=CC(=NO1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)CCC3
InChI=1SC21H19N7O2Sc112518(263012)281532416(29)20(15)19(14(722)21(28)23)17613(93117)8271124102527h5691119H24823H21H3
MFCD06618239
ZINC000012446670
ZINC000012446672
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