Vitas-M small molecule compound
4-{(E)-[(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Catalog ID
STL482200
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(C)n[nH]c1=S
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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 C11H10N4O2S MW 262.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N4O2S/c1-7-13-14-11(18)15(7)12-6-8-2-4-9(5-3-8)10(16)17/h2-6H,1H3,(H,14,18)(H,16,17)/b12-6+InChIKey
NLEAWIJJXXLFPJ-WUXMJOGZSA-NSynonyms
4((E)((3methyl5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3methyl5sulfanylidene1H124triazol4yl)iminomethyl)benzoicacid
CC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)O
InChI=1SC11H10N4O2Sc17131411(18)15(7)1268249(538)10(16)17h26H1H3(H1418)(H1617)b126+
MFCD30713247
OC(=O)c1ccc(cc1)C=Nn1c(C)n(nH)c1=S
ZINC000005410250
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