Vitas-M small molecule compound
methyl 4-[({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139899
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1ccccc1Cl
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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)11-6-8-12(9-7-11)21-15(25)10-28-18-23-22-16(24(18)20)13-4-2-3-5-14(13)19/h2-9H,10,20H2,1H3,(H,21,25)InChIKey
RBUJQAIFHTVJHF-UHFFFAOYSA-NSynonyms
578701-63-0578701630
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl
InChI=1SC18H16ClN5O3Sc12717(26)116812(9711)2115(25)102818232216(24(18)20)13423514(13)19h29H1020H21H3(H2125)
METHYL4((((4AMINO5(2CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4AMINO5(2CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4AMINO5(2CHLOROPHENYL)4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(4AMINO5(2CHLOROPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03864791
ZINC000000686812
ZINC00686812
ZINC686812
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