Vitas-M small molecule compound
methyl 4-({[(5-{[(4-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK768932
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)CNc1ccc(cc1)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 C25H22ClN5O3S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O3S/c1-34-24(33)17-7-11-20(12-8-17)28-23(32)16-35-25-30-29-22(31(25)21-5-3-2-4-6-21)15-27-19-13-9-18(26)10-14-19/h2-14,27H,15-16H2,1H3,(H,28,32)InChIKey
PRPUGCAANGDOIV-UHFFFAOYSA-NSynonyms
442669-27-4442669274
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl
InChI=1SC25H22ClN5O3Sc13424(33)1771120(12817)2823(32)163525302922(31(25)215324621)15271913918(26)101419h21427H1516H21H3(H2832)
methyl4((((5(((4chlorophenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5((4CHLOROANILINO)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(((4CHLOROPHENYL)AMINO)METHYL)4PHENYL4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZOATE
MFCD03408135
ZINC000000720384
ZINC00720384
ZINC720384
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