Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK023506
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O
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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 C30H29N3O3S2 MW 543.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S2/c1-5-36-30(35)26-27(34)25(37-28(26)32-21-12-10-17(2)11-13-21)15-20-14-18(3)33(19(20)4)29-23(16-31)22-8-6-7-9-24(22)38-29/h10-15,32H,5-9H2,1-4H3/b25-15-InChIKey
VERMKLCVTJWOBP-MYYYXRDXSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C1=O)NC5=CC=C(C=C5)C
ethyl(5Z)5((1(3cyano4567tetrahydro1benzothiophen2yl)25dimethyl1Hpyrrol3yl)methylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ethyl(5Z)5((1(3cyano4567tetrahydro1benzothiophen2yl)25dimethylpyrrol3yl)methylidene)2(4methylanilino)4oxothiophene3carboxylate
InChI=1SC30H29N3O3S2c153630(35)2627(34)25(3728(26)3221121017(2)111321)15201418(3)33(19(20)4)2923(1631)22867924(22)3829h101532H59H214H3b2515
MFCD02952497
STK023506
ZINC000008407274
ZINC08407274
ZINC8407274
Check stock
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Check stock on Vitas-MAvailable files
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