Vitas-M small molecule compound
6-(2-methylbutan-2-yl)-4-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Catalog ID
STL024929
SMILES CCC(C1CCc2c(C1)c1c(N/N=C/c3ccc(cc3)[N+](=O)[O-])ncnc1s2)(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 C22H25N5O2S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S/c1-4-22(2,3)15-7-10-18-17(11-15)19-20(23-13-24-21(19)30-18)26-25-12-14-5-8-16(9-6-14)27(28)29/h5-6,8-9,12-13,15H,4,7,10-11H2,1-3H3,(H,23,24,26)/b25-12+InChIKey
QHHGIPMGIDRIEV-BRJLIKDPSA-NSynonyms
314770-19-9(E)4(2(4nitrobenzylidene)hydrazinyl)6(tertpentyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidine
314770199
6(2methylbutan2yl)4((2E)2(4nitrobenzylidene)hydrazinyl)5678tetrahydro(1)benzothieno(23d)pyrimidine
6(2methylbutan2yl)N((E)(4nitrophenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4amine
CCC(C)(C)C1CCC2=C(C1)C3=C(N=CN=C3S2)NN=CC4=CC=C(C=C4)(N+)(=O)(O)
CCC(C1CCc2c(C1)c1c(NN=Cc3ccc(cc3)(N+)(=O)(O))ncnc1s2)(C)C
InChI=1SC22H25N5O2Sc1422(23)157101817(1115)1920(23132421(19)3018)262512145816(9614)27(28)29h5689121315H471011H213H3(H232426)b2512+
MFCD02729132
ZINC000005068458
ZINC000005068461
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