Vitas-M small molecule compound
{[5-(4-methoxybenzyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL182642
SMILES COc1ccc(cc1)Cc1nnc(n1c1ccccc1)SCC(=O)O
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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-24-15-9-7-13(8-10-15)11-16-19-20-18(25-12-17(22)23)21(16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,23)InChIKey
VXXHXWAMJMCSBK-UHFFFAOYSA-NSynonyms
((5(4methoxybenzyl)4phenyl4H124triazol3yl)sulfanyl)aceticacid
2((5((4methoxyphenyl)methyl)4phenyl124triazol3yl)sulfanyl)aceticacid
COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O
InChI=1SC18H17N3O3Sc124159713(81015)1116192018(251217(22)23)21(16)145324614h210H1112H21H3(H2223)
MFCD04036817
ZINC000002524134
ZINC2524134
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