Vitas-M small molecule compound
methyl 4-[({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL342345
SMILES CCOc1cccc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)C(=O)OC
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-3-29-16-6-4-5-14(11-16)18-23-24-20(25(18)21)30-12-17(26)22-15-9-7-13(8-10-15)19(27)28-2/h4-11H,3,12,21H2,1-2H3,(H,22,26)InChIKey
HWHOAQOMOPCDCL-UHFFFAOYSA-NSynonyms
579445-96-8579445968
CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC20H21N5O4Sc13291664514(1116)18232420(25(18)21)301217(26)22159713(81015)19(27)282h411H31221H212H3(H2226)
methyl4((((4amino5(3ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4AMINO5(3ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4amino5(3ethoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4AMINO5(3ETHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD04034416
ZINC000002399426
ZINC02399426
ZINC2399426
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