Vitas-M small molecule compound
4-[(E)-2-cyano-2-{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethenyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK613491
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1)/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1
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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 C25H18N4O5S2 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O5S2/c1-33-22-15-17(12-13-21(22)34-36(31,32)20-10-6-3-7-11-20)14-19(16-26)24-28-29-25(35-24)27-23(30)18-8-4-2-5-9-18/h2-15H,1H3,(H,27,29,30)/b19-14+InChIKey
DHRSMHOIJGZHMS-XMHGGMMESA-NSynonyms
487020-27-9(4((E)2(5BENZAMIDO134THIADIAZOL2YL)2CYANOETHENYL)2METHOXYPHENYL)BENZENESULFONATE
4((E)2cyano2((5Z)5((phenylcarbonyl)imino)45dihydro134thiadiazol2yl)ethenyl)2methoxyphenylbenzenesulfonate
487020279
COC1=C(C=CC(=C1)C=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4
InChI=1SC25H18N4O5S2c133221517(121321(22)3436(3132)20106371120)1419(1626)24282925(3524)2723(30)188425918h215H1H3(H272930)b1914+
MFCD08732468
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1)c1n(nH)c(=NC(=O)c2ccccc2)s1
ZINC000097968485
ZINC97968485
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