Vitas-M small molecule compound
N-benzyl-2-{[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK760330
SMILES COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(cc1OC)[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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-32-20-12-17(19(28(30)31)13-21(20)33-2)15-27-25-23(18-10-6-7-11-22(18)34-25)24(29)26-14-16-8-4-3-5-9-16/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3,(H,26,29)/b27-15-InChIKey
WENPLLGDZYIPFV-DICXZTSXSA-NSynonyms
COC1=C(C=C(C(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)(N+)(=O)(O))OC
COc1cc(C=Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(cc1OC)(N+)(=O)(O)
InChI=1SC25H25N3O5Sc132201217(19(28(30)31)1321(20)332)15272523(1810671122(18)3425)24(29)2614168435916h3589121315H67101114H212H3(H2629)b2715
MFCD01821465
Nbenzyl2(((Z)(45dimethoxy2nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((Z)(45dimethoxy2nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000015188648
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