Vitas-M small molecule compound
3,4-dichloro-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK218749
SMILES O=C(c1ccc(c(c1)Cl)Cl)NCc1nnc(n1C)SCc1ccc(cc1)[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 C18H15Cl2N5O3S MW 452.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2N5O3S/c1-24-16(9-21-17(26)12-4-7-14(19)15(20)8-12)22-23-18(24)29-10-11-2-5-13(6-3-11)25(27)28/h2-8H,9-10H2,1H3,(H,21,26)InChIKey
GHSWZIDZVOUCRE-UHFFFAOYSA-NSynonyms
34DICHLORON((4METHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((4METHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC18H15Cl2N5O3Sc12416(92117(26)124714(19)15(20)812)222318(24)2910112513(6311)25(27)28h28H910H21H3(H2126)
MFCD06000505
O=C(c1ccc(c(c1)Cl)Cl)NCc1nnc(n1C)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000001075326
ZINC01075326
ZINC1075326
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