Vitas-M small molecule compound
4-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STL071326
SMILES COc1ccc(cc1NC(=O)CSc1nnnn1c1ccc(cc1)C(=O)O)Cl
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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 C17H14ClN5O4S MW 419.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O4S/c1-27-14-7-4-11(18)8-13(14)19-15(24)9-28-17-20-21-22-23(17)12-5-2-10(3-6-12)16(25)26/h2-8H,9H2,1H3,(H,19,24)(H,25,26)InChIKey
IYTUMIKSIUXZTI-UHFFFAOYSA-NSynonyms
700354-56-94(5((2((5chloro2methoxyphenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((2((5chloro2methoxyphenyl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
4(5(2(5CHLORO2METHOXYANILINO)2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOICACID
700354569
COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O
InChI=1SC17H14ClN5O4Sc127147411(18)813(14)1915(24)9281720212223(17)125210(3612)16(25)26h28H9H21H3(H1924)(H2526)
MFCD03826527
ZINC000009185188
ZINC9185188
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