Vitas-M small molecule compound

propan-2-yl 4-cyano-3-methyl-5-({[2-(2-methylphenyl)quinolin-4-yl]carbonyl}amino)thiophene-2-carboxylate

Catalog ID
STK418916
SMILES N#Cc1c(NC(=O)c2cc(nc3c2cccc3)c2ccccc2C)sc(c1C)C(=O)OC(C)C

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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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-15(2)33-27(32)24-17(4)21(14-28)26(34-24)30-25(31)20-13-23(18-10-6-5-9-16(18)3)29-22-12-8-7-11-19(20)22/h5-13,15H,1-4H3,(H,30,31)
InChIKey
RIGOHJMJKOQCRR-UHFFFAOYSA-N
Synonyms
438611-15-5
438611155
4CYANO3METHYL5(((2(2METHYLPHENYL)4QUINOLINYL)OXOMETHYL)AMINO)2THIOPHENECARBOXYLICACIDPROPAN2YLESTER
4CYANO3METHYL5((2(OTOLYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE2CARBOXYLICACIDISOPROPYLESTER
CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N
InChI=1SC27H23N3O3Sc115(2)3327(32)2417(4)21(1428)26(3424)3025(31)201323(181065916(18)3)292212871119(20)22h51315H14H3(H3031)
ISOPROPYL4CYANO3METHYL5(((2(2METHYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)2THIOPHENECARBOXYLATE
MFCD01342019
propan2yl4cyano3methyl5(((2(2methylphenyl)quinolin4yl)carbonyl)amino)thiophene2carboxylate
PROPAN2YL4CYANO3METHYL5((2(2METHYLPHENYL)QUINOLIN4YL)CARBONYLAMINO)THIOPHENE2CARBOXYLATE
PROPAN2YL4CYANO3METHYL5((2(2METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE2CARBOXYLATE
PROPAN2YL4CYANO3METHYL5(2(2METHYLPHENYL)QUINOLINE4AMIDO)THIOPHENE2CARBOXYLATE
ZINC000002081647
ZINC02081647
ZINC2081647

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Available files

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