Vitas-M small molecule compound
2-methylpropyl 4-({(Z)-2-cyano-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878574
SMILES N#C/C(=C/Nc1ccc(cc1)C(=O)OCC(C)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
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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 C30H23N3O4S MW 521.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O4S/c1-18(2)16-36-29(34)20-7-10-22(11-8-20)32-15-21(14-31)28-33-26(17-38-28)25-13-24-23-6-4-3-5-19(23)9-12-27(24)37-30(25)35/h3-13,15,17-18,32H,16H2,1-2H3/b21-15-InChIKey
IQNMYUPVUSFZBQ-QNGOZBTKSA-NSynonyms
2methylpropyl4(((Z)2cyano2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)ethenyl)amino)benzoate
2methylpropyl4(((Z)2cyano2(4(3oxobenzo(f)chromen2yl)13thiazol2yl)ethenyl)amino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
InChI=1SC30H23N3O4Sc118(2)163629(34)2071022(11820)321521(1431)283326(173828)25132423643519(23)91227(24)3730(25)35h31315171832H16H212H3b2115
MFCD18170352
N#CC(=CNc1ccc(cc1)C(=O)OCC(C)C)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
ZINC000040476993
ZINC40476993
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