Vitas-M small molecule compound
4-[3-(ethylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Catalog ID
STK326340
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)O)N(c1c2cccc1)C(=O)CC
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)InChIKey
IUAUWORIUKDXPJ-UHFFFAOYSA-NSynonyms
4(3(ethylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoicacid
4(3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOICACID
4(3ETHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOICACID
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H20N4O4Sc1317(27)2616865715(16)1819(2322(252418)3142)3020(26)1391114(121013)21(28)29h51220H34H212H3(H2829)
MFCD03080433
ZINC000000684614
ZINC000000684615
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