Vitas-M small molecule compound
2-[5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide
Catalog ID
STK497557
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1CC(=O)Nc1ccccc1OC
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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 C22H21FN4O3S MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O3S/c1-3-12-27-20(13-21(29)24-17-6-4-5-7-19(17)30-2)25-26-22(27)31-14-18(28)15-8-10-16(23)11-9-15/h3-11H,1,12-14H2,2H3,(H,24,29)InChIKey
XVISKUUITCDWTC-UHFFFAOYSA-NSynonyms
2(5((2(4fluorophenyl)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)N(2methoxyphenyl)acetamide
2(5(2(4fluorophenyl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)N(2methoxyphenyl)acetamide
COC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)F
InChI=1SC22H21FN4O3Sc13122720(1321(29)2417645719(17)302)252622(27)311418(28)1581016(23)11915h311H11214H22H3(H2429)
MFCD11854945
ZINC000032579300
ZINC32579300
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