Vitas-M small molecule compound
(3E)-5-(4-methylphenyl)-3-(4-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrobenzylidene)furan-2(3H)-one
Catalog ID
STK001849
SMILES Cc1ccc(cc1)C1=C/C(=C\c2ccc(c(c2)[N+](=O)[O-])Sc2nnc(n2C)c2cccnc2)/C(=O)O1
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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 C26H19N5O4S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O4S/c1-16-5-8-18(9-6-16)22-14-20(25(32)35-22)12-17-7-10-23(21(13-17)31(33)34)36-26-29-28-24(30(26)2)19-4-3-11-27-15-19/h3-15H,1-2H3/b20-12+InChIKey
UHXOLJAHSQGDOT-UDWIEESQSA-NSynonyms
(3E)5(4methylphenyl)3((4((4methyl5pyridin3yl124triazol3yl)sulfanyl)3nitrophenyl)methylidene)furan2one
(3E)5(4METHYLPHENYL)3(4((4METHYL5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)3NITROBENZYLIDENE)FURAN2(3H)ONE
CC1=CC=C(C=C1)C2=CC(=CC3=CC(=C(C=C3)SC4=NN=C(N4C)C5=CN=CC=C5)(N+)(=O)(O))C(=O)O2
Cc1ccc(cc1)C1=CC(=Cc2ccc(c(c2)(N+)(=O)(O))Sc2nnc(n2C)c2cccnc2)C(=O)O1
InChI=1SC26H19N5O4Sc1165818(9616)221420(25(32)3522)121771023(21(1317)31(33)34)3626292824(30(26)2)194311271519h315H12H3b2012+
MFCD09959897
STK001849
ZINC000012285103
ZINC12285103
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