Vitas-M small molecule compound
3-[({[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182030
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1Cc1ccc(cc1)OC
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-11-26-19(12-15-7-9-18(30-2)10-8-15)24-25-22(26)31-14-20(27)23-17-6-4-5-16(13-17)21(28)29/h3-10,13H,1,11-12,14H2,2H3,(H,23,27)(H,28,29)InChIKey
BXVNDHLTNKWXFB-UHFFFAOYSA-NSynonyms
3((((5(4methoxybenzyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((4methoxyphenyl)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC22H22N4O4Sc13112619(12157918(302)10815)242522(26)311420(27)231764516(1317)21(28)29h31013H1111214H22H3(H2327)(H2829)
MFCD04382187
ZINC000072191522
ZINC72191522
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