Vitas-M small molecule compound
4-chloro-N-{[4-methyl-5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK246038
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl
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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 C19H17ClN6O4S MW 460.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN6O4S/c1-25-16(10-21-18(28)12-5-7-13(20)8-6-12)23-24-19(25)31-11-17(27)22-14-3-2-4-15(9-14)26(29)30/h2-9H,10-11H2,1H3,(H,21,28)(H,22,27)InChIKey
QMWJXTCOLBNIHA-UHFFFAOYSA-NSynonyms
4CHLORON((4METHYL5((2((3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4chloroN((4methyl5(2(3nitroanilino)2oxoethyl)sulfanyl124triazol3yl)methyl)benzamide
4CHLORON(4METHYL5((3NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC19H17ClN6O4Sc12516(102118(28)125713(20)8612)232419(25)311117(27)221432415(914)26(29)30h29H1011H21H3(H2128)(H2227)
MFCD08670921
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl
ZINC000009328711
ZINC09328711
ZINC9328711
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