Vitas-M small molecule compound
methyl 4-chloro-2-[({[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL017569
SMILES COc1cccc(c1)n1nnnc1SCC(=O)Nc1cc(Cl)ccc1C(=O)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 C18H16ClN5O4S MW 433.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O4S/c1-27-13-5-3-4-12(9-13)24-18(21-22-23-24)29-10-16(25)20-15-8-11(19)6-7-14(15)17(26)28-2/h3-9H,10H2,1-2H3,(H,20,25)InChIKey
WQPHZZAISMYDAO-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC
InChI=1SC18H16ClN5O4Sc1271353412(913)2418(21222324)291016(25)2015811(19)6714(15)17(26)282h39H10H212H3(H2025)
methyl4chloro2((((1(3methoxyphenyl)1Htetrazol5yl)sulfanyl)acetyl)amino)benzoate
methyl4chloro2((2(1(3methoxyphenyl)tetrazol5yl)sulfanylacetyl)amino)benzoate
MFCD06431893
ZINC000012293251
ZINC12293251
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