Vitas-M small molecule compound
ethyl 4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK782058
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1scc(c1)CSc1nnc(s1)N)C(=O)CC(C2)(C)C
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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 C22H26N4O3S3 MW 490.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S3/c1-5-29-19(28)16-11(2)24-13-7-22(3,4)8-14(27)17(13)18(16)15-6-12(9-30-15)10-31-21-26-25-20(23)32-21/h6,9,18,24H,5,7-8,10H2,1-4H3,(H2,23,25)InChIKey
WNFKDSYKZFENER-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)CSC4=NN=C(S4)N)C(=O)CC(C2)(C)C)C
ethyl4(4(((5amino134thiadiazol2yl)sulfanyl)methyl)thiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((5amino134thiadiazol2yl)sulfanylmethyl)thiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H26N4O3S3c152919(28)1611(2)2413722(34)814(27)17(13)18(16)15612(93015)103121262520(23)3221h691824H57810H214H3(H22325)
MFCD06016587
ZINC000019875027
ZINC000019875029
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