Vitas-M small molecule compound
5-({[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-2-chlorobenzoic acid
Catalog ID
STL381522
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)C(=O)O)Cl)nnc1Cc1ccccc1
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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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-2-25-17(10-13-6-4-3-5-7-13)23-24-20(25)29-12-18(26)22-14-8-9-16(21)15(11-14)19(27)28/h3-9,11H,2,10,12H2,1H3,(H,22,26)(H,27,28)InChIKey
BLJREEHPJCAEPX-UHFFFAOYSA-NSynonyms
5((((5benzyl4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)2chlorobenzoicacid
5((2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)2CHLOROBENZOICACID
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)CC3=CC=CC=C3
InChI=1SC20H19ClN4O3Sc122517(10136435713)232420(25)291218(26)22148916(21)15(1114)19(27)28h3911H21012H21H3(H2226)(H2728)
MFCD06625472
ZINC000009235584
ZINC9235584
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