Vitas-M small molecule compound
2-chloro-N-{4-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Catalog ID
STK130775
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Cl
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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 C25H21ClN6O5S MW 553.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN6O5S/c1-31-23(15-7-9-16(10-8-15)27-24(34)18-5-3-4-6-19(18)26)29-30-25(31)38-14-22(33)28-20-12-11-17(37-2)13-21(20)32(35)36/h3-13H,14H2,1-2H3,(H,27,34)(H,28,33)InChIKey
ALUGPVVBMYEMGX-UHFFFAOYSA-NSynonyms
2CHLORON(4(5((2((4METHOXY2NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2CHLORON(4(5(2(4METHOXY2NITROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Cl
InChI=1SC25H21ClN6O5Sc13123(157916(10815)2724(34)18534619(18)26)293025(31)381422(33)2820121117(372)1321(20)32(35)36h313H14H212H3(H2734)(H2833)
MFCD03876826
ZINC000097995727
ZINC97995727
Check stock
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