Vitas-M small molecule compound
2-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methoxy-6-nitrophenyl acetate
Catalog ID
STK509236
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)[N+](=O)[O-]
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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 C27H29N5O7S MW 567.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O7S/c1-5-6-7-10-13-40-27-28-25-23(29-30-27)19-11-8-9-12-21(19)31(16(2)33)26(39-25)20-14-18(37-4)15-22(32(35)36)24(20)38-17(3)34/h8-9,11-12,14-15,26H,5-7,10,13H2,1-4H3InChIKey
LPCXXPLNOWXHNG-UHFFFAOYSA-NSynonyms
(2(7ACETYL3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4METHOXY6NITROPHENYL)ACETATE
2(7acetyl3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4methoxy6nitrophenylacetate
2(7ACETYL3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6NITRO4METHOXYPHENYLACETATE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)C)(N+)(=O)(O))OC)C(=O)C)N=N1
CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)(N+)(=O)(O)
InChI=1SC27H29N5O7Sc156710134027282523(293027)1911891221(19)31(16(2)33)26(3925)201418(374)1522(32(35)36)24(20)3817(3)34h891112141526H571013H214H3
MFCD02952045
ZINC000008453140
ZINC000008453141
Check stock
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Check stock on Vitas-MAvailable files
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