Vitas-M small molecule compound
methyl 4-{[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK570959
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)COc1ccc(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 C22H21ClN4O4S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S/c1-3-12-27-19(13-31-18-10-6-16(23)7-11-18)25-26-22(27)32-14-20(28)24-17-8-4-15(5-9-17)21(29)30-2/h3-11H,1,12-14H2,2H3,(H,24,28)InChIKey
RRYQHQFBFBLCAC-UHFFFAOYSA-NSynonyms
896078-26-5896078265
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl
InChI=1SC22H21ClN4O4Sc13122719(13311810616(23)71118)252622(27)321420(28)24178415(5917)21(29)302h311H11214H22H3(H2428)
methyl4((((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5((4chlorophenoxy)methyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(4CHLOROPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD06592753
ZINC000002439469
ZINC02439469
ZINC2439469
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.