Vitas-M small molecule compound
4-{5-[(E)-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl]furan-2-yl}benzoic acid
Catalog ID
STK324789
SMILES O=C(c1c(/N=C/c2ccc(o2)c2ccc(cc2)C(=O)O)sc2c1CCCC2)NCc1ccccc1
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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 C28H24N2O4S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4S/c31-26(29-16-18-6-2-1-3-7-18)25-22-8-4-5-9-24(22)35-27(25)30-17-21-14-15-23(34-21)19-10-12-20(13-11-19)28(32)33/h1-3,6-7,10-15,17H,4-5,8-9,16H2,(H,29,31)(H,32,33)/b30-17+InChIKey
HOJYSIJWBBOPHF-OCSSWDANSA-NSynonyms
4(5((E)((3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)imino)methyl)furan2yl)benzoicacid
4(5((E)(3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)iminomethyl)furan2yl)benzoicacid
C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NCC5=CC=CC=C5
InChI=1SC28H24N2O4Sc3126(2916186213718)2522845924(22)3527(25)301721141523(3421)19101220(131119)28(32)33h1367101517H458916H2(H2931)(H3233)b3017+
MFCD02190708
O=C(c1c(N=Cc2ccc(o2)c2ccc(cc2)C(=O)O)sc2c1CCCC2)NCc1ccccc1
ZINC000018173240
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