Vitas-M small molecule compound
4-(5-{(Z)-[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzenesulfonic acid
Catalog ID
STK202633
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)S(=O)(=O)O)c1nnn[nH]1
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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 C16H12N6O5S MW 400.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N6O5S/c1-9-13(15(23)22(19-9)16-17-20-21-18-16)8-11-4-7-14(27-11)10-2-5-12(6-3-10)28(24,25)26/h2-8H,1H3,(H,24,25,26)(H,17,18,20,21)/b13-8-InChIKey
ZCVWVVPNNARZOV-JYRVWZFOSA-NSynonyms
4(5((Z)(3methyl5oxo1(1Htetrazol5yl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzenesulfonicacid
4(5((Z)(3methyl5oxo1(2Htetrazol5yl)pyrazol4ylidene)methyl)furan2yl)benzenesulfonicacid
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(cc1)S(=O)(=O)O)c1nnn(nH)1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)O)C4=NNN=N4
InChI=1SC16H12N6O5Sc1913(15(23)22(199)161720211816)8114714(2711)102512(6310)28(2425)26h28H1H3(H242526)(H17182021)b138
MFCD05131186
ZINC000044400073
ZINC44400073
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