Vitas-M small molecule compound
{[5-(1-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL182676
SMILES C=CCn1c(SCC(=O)O)nnc1C(NC(=O)c1ccc(cc1)Cl)C
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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 C16H17ClN4O3S MW 380.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O3S/c1-3-8-21-14(19-20-16(21)25-9-13(22)23)10(2)18-15(24)11-4-6-12(17)7-5-11/h3-7,10H,1,8-9H2,2H3,(H,18,24)(H,22,23)InChIKey
WTMJOQMLZVAGEI-UHFFFAOYSA-NSynonyms
((5(1(((4chlorophenyl)carbonyl)amino)ethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
2((5(1((4chlorobenzoyl)amino)ethyl)4prop2enyl124triazol3yl)sulfanyl)aceticacid
CC(C1=NN=C(N1CC=C)SCC(=O)O)NC(=O)C2=CC=C(C=C2)Cl
InChI=1SC16H17ClN4O3Sc1382114(192016(21)25913(22)23)10(2)1815(24)114612(17)7511h3710H189H22H3(H1824)(H2223)
MFCD22385652
ZINC000072328143
ZINC000072328144
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