Vitas-M small molecule compound
3-[(3,4-dimethylphenyl)sulfonyl]-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,3]triazolo[1,5-a]quinazoline
Catalog ID
STL193049
SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1nc2n(c3c1cccc3)nnc2S(=O)(=O)c1ccc(c(c1)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 C27H25N7O4S MW 543.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O4S/c1-18-7-12-22(17-19(18)2)39(37,38)27-26-28-25(23-5-3-4-6-24(23)33(26)30-29-27)32-15-13-31(14-16-32)20-8-10-21(11-9-20)34(35)36/h3-12,17H,13-16H2,1-2H3InChIKey
OARORSHHMMAWLN-UHFFFAOYSA-NSynonyms
893277-12-8(O)(N+)(=O)c1ccc(cc1)N1CCN(CC1)c1nc2n(c3c1cccc3)nnc2S(=O)(=O)c1ccc(c(c1)C)C
3((34dimethylphenyl)sulfonyl)5(4(4nitrophenyl)piperazin1yl)(123)triazolo(15a)quinazoline
3(34dimethylphenyl)sulfonyl5(4(4nitrophenyl)piperazin1yl)triazolo(15a)quinazoline
893277128
CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCN(CC5)C6=CC=C(C=C6)(N+)(=O)(O))C
InChI=1SC27H25N7O4Sc11871222(1719(18)2)39(3738)27262825(23534624(23)33(26)302927)32151331(141632)2081021(11920)34(35)36h31217H1316H212H3
MFCD07654745
ZINC000097959276
ZINC97959276
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