Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(3-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521231
SMILES CCSc1nnc2c(n1)OC(c1cccc(c1)[N+](=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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c1-3-17(27)25-16-11-6-5-10-15(16)18-19(22-21(24-23-18)31-4-2)30-20(25)13-8-7-9-14(12-13)26(28)29/h5-12,20H,3-4H2,1-2H3InChIKey
MDKNDGKKNHMVAT-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(3nitrophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3ETHYLSULFANYL6(3NITROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(ETHYLSULFANYL)6(3NITROPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC(=CC=C4)(N+)(=O)(O)
CCSc1nnc2c(n1)OC(c1cccc(c1)(N+)(=O)(O))N(c1c2cccc1)C(=O)CC
InChI=1SC21H19N5O4Sc1317(27)251611651015(16)1819(2221(242318)3142)3020(25)1387914(1213)26(28)29h51220H34H212H3
MFCD03080394
ZINC000000684539
ZINC000000684540
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