Vitas-M small molecule compound
ethyl 4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK697206
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1cccs1
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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 C20H20N4O3S2 MW 428.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S2/c1-3-11-24-18(16-6-5-12-28-16)22-23-20(24)29-13-17(25)21-15-9-7-14(8-10-15)19(26)27-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,21,25)InChIKey
SHGUFXGHVBJHTO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3
ethyl4((((4(prop2en1yl)5(thiophen2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((((4ALLYL5THIEN2YL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
ETHYL4((2((4PROP2ENYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(4PROP2ENYL5(2THIENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC20H20N4O3S2c13112418(1665122816)222320(24)291317(25)21159714(81015)19(26)2742h351012H141113H22H3(H2125)
MFCD03036074
ZINC000000718676
ZINC00718676
ZINC718676
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