Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509245
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])N(c1c2cccc1)C(=O)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 C29H29N5O5S MW 559.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5S/c1-4-5-6-9-16-40-29-30-27-26(31-32-29)22-10-7-8-11-23(22)33(19(3)35)28(39-27)25-15-14-24(38-25)21-13-12-20(34(36)37)17-18(21)2/h7-8,10-15,17,28H,4-6,9,16H2,1-3H3InChIKey
PVDVUYNDEHPMGU-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(5(2methyl4nitrophenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(5(2METHYL4NITROPHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(5(4NITRO2METHYLPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))C)C(=O)C)N=N1
CCCCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))N(c1c2cccc1)C(=O)C
InChI=1SC29H29N5O5Sc14569164029302726(313229)2210781123(22)33(19(3)35)28(3927)25151424(3825)21131220(34(36)37)1718(21)2h7810151728H46916H213H3
MFCD02952031
ZINC000002104619
ZINC000002104622
Check stock
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Check stock on Vitas-MAvailable files
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