Vitas-M small molecule compound
methyl 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STL341805
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1cccc(c1)OC(C)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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-13(2)30-17-6-4-5-15(11-17)19-24-25-21(26(19)22)31-12-18(27)23-16-9-7-14(8-10-16)20(28)29-3/h4-11,13H,12,22H2,1-3H3,(H,23,27)InChIKey
PFYWRQBKLDYJJJ-UHFFFAOYSA-NSynonyms
585557-35-3585557353
CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC21H23N5O4Sc113(2)301764515(1117)19242521(26(19)22)311218(27)23169714(81016)20(28)293h41113H1222H213H3(H2327)
methyl4((((4amino5(3(propan2yloxy)phenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4AMINO5(3PROPAN2YLOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4amino5(3isopropoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4AMINO5(3(METHYLETHOXY)PHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD04030210
ZINC000002392040
ZINC02392040
ZINC2392040
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