Vitas-M small molecule compound
methyl 4-[({[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL228779
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1cccc(c1)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 C18H16ClN5O3S MW 417.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O3S/c1-27-17(26)11-5-7-14(8-6-11)21-15(25)10-28-18-23-22-16(24(18)20)12-3-2-4-13(19)9-12/h2-9H,10,20H2,1H3,(H,21,25)InChIKey
FQQIIQPZCDFIPV-UHFFFAOYSA-NSynonyms
587008-08-0587008080
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl
InChI=1SC18H16ClN5O3Sc12717(26)115714(8611)2115(25)102818232216(24(18)20)1232413(19)912h29H1020H21H3(H2125)
methyl4((((4amino5(3chlorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4AMINO5(3CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4amino5(3chlorophenyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD04033278
ZINC000002396793
ZINC02396793
ZINC2396793
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