Vitas-M small molecule compound
2-{[5-(3-chloro-4-methylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)butanamide
Catalog ID
STK202341
SMILES CCC(C(=O)Nc1cccc(c1)[N+](=O)[O-])Sc1nnc(n1CC)c1ccc(c(c1)Cl)C
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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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-4-18(20(28)23-15-7-6-8-16(12-15)27(29)30)31-21-25-24-19(26(21)5-2)14-10-9-13(3)17(22)11-14/h6-12,18H,4-5H2,1-3H3,(H,23,28)InChIKey
YWVVFHQYAAKLMU-UHFFFAOYSA-NSynonyms
2((5(3CHLORO4METHYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)BUTANAMIDE
2((5(3CHLORO4METHYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=C(N2CC)C3=CC(=C(C=C3)C)Cl
CCC(C(=O)Nc1cccc(c1)(N+)(=O)(O))Sc1nnc(n1CC)c1ccc(c(c1)Cl)C
InChI=1SC21H22ClN5O3Sc1418(20(28)231576816(1215)27(29)30)3121252419(26(21)52)1410913(3)17(22)1114h61218H45H213H3(H2328)
MFCD04348087
ZINC000001113689
ZINC000001113691
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