Vitas-M small molecule compound
3,4-dichloro-N-{[4-methyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK125618
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)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 C19H16Cl2N6O4S MW 495.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Cl2N6O4S/c1-26-16(9-22-18(29)11-2-7-14(20)15(21)8-11)24-25-19(26)32-10-17(28)23-12-3-5-13(6-4-12)27(30)31/h2-8H,9-10H2,1H3,(H,22,29)(H,23,28)InChIKey
WMWYPTMHTKFPNS-UHFFFAOYSA-NSynonyms
34DICHLORON((4METHYL5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((4METHYL5(2(4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC19H16Cl2N6O4Sc12616(92218(29)112714(20)15(21)811)242519(26)321017(28)23123513(6412)27(30)31h28H910H21H3(H2229)(H2328)
MFCD04219450
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl
ZINC000009260508
ZINC09260508
ZINC9260508
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