Vitas-M small molecule compound
3,4-dimethoxy-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK138597
SMILES C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1cc(ccc1C)[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 C24H26N6O6S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O6S/c1-5-10-29-21(13-25-23(32)16-7-9-19(35-3)20(11-16)36-4)27-28-24(29)37-14-22(31)26-18-12-17(30(33)34)8-6-15(18)2/h5-9,11-12H,1,10,13-14H2,2-4H3,(H,25,32)(H,26,31)InChIKey
WHMMPJLJRNTMQQ-UHFFFAOYSA-NSynonyms
34DIMETHOXYN((5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DIMETHOXYN((5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1cc(ccc1C)(N+)(=O)(O)
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC24H26N6O6Sc15102921(132523(32)167919(353)20(1116)364)272824(29)371422(31)26181217(30(33)34)8615(18)2h591112H1101314H224H3(H2532)(H2631)
MFCD05988139
ZINC000059602899
ZINC59602899
Check stock
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Check stock on Vitas-MAvailable files
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