Vitas-M small molecule compound
2-({5-[(2,4-dichlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-4-nitrophenyl)acetamide
Catalog ID
STL381645
SMILES O=C(Nc1ccc(cc1C)[N+](=O)[O-])CSc1nnc(n1C)COc1ccc(cc1Cl)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 C19H17Cl2N5O4S MW 482.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N5O4S/c1-11-7-13(26(28)29)4-5-15(11)22-18(27)10-31-19-24-23-17(25(19)2)9-30-16-6-3-12(20)8-14(16)21/h3-8H,9-10H2,1-2H3,(H,22,27)InChIKey
DDRCTIFRVSSZJQ-UHFFFAOYSA-NSynonyms
2((5((24DICHLOROPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)N(2METHYL4NITROPHENYL)ACETAMIDE
2((5((24dichlorophenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)N(2methyl4nitrophenyl)acetamide
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)COC3=C(C=C(C=C3)Cl)Cl
InChI=1SC19H17Cl2N5O4Sc111713(26(28)29)4515(11)2218(27)103119242317(25(19)2)930166312(20)814(16)21h38H910H212H3(H2227)
MFCD06629145
O=C(Nc1ccc(cc1C)(N+)(=O)(O))CSc1nnc(n1C)COc1ccc(cc1Cl)Cl
ZINC000009235269
ZINC09235269
ZINC9235269
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