Vitas-M small molecule compound
3-[({[5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182043
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1cccc(c1)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 C23H23N5O5S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S/c1-3-10-28-19(13-20(29)24-17-8-5-9-18(12-17)33-2)26-27-23(28)34-14-21(30)25-16-7-4-6-15(11-16)22(31)32/h3-9,11-12H,1,10,13-14H2,2H3,(H,24,29)(H,25,30)(H,31,32)InChIKey
AIZXTFPQLWFCRE-UHFFFAOYSA-NSynonyms
3((((5(2((3methoxyphenyl)amino)2oxoethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2(3methoxyanilino)2oxoethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC23H23N5O5Sc13102819(1320(29)241785918(1217)332)262723(28)341421(30)251674615(1116)22(31)32h391112H1101314H22H3(H2429)(H2530)(H3132)
MFCD04377293
ZINC000072191469
ZINC72191469
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