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Vitas-M small molecule compound

methyl 2-{[(2-{[2-(4-tert-butylphenyl)cyclopropyl]carbonyl}hydrazinyl)carbonothioyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK455909
SMILES COC(=O)c1c(NC(=S)NNC(=O)C2CC2c2ccc(cc2)C(C)(C)C)sc(c1CC)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 C24H31N3O3S2 MW 473.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O3S2/c1-7-16-13(2)32-21(19(16)22(29)30-6)25-23(31)27-26-20(28)18-12-17(18)14-8-10-15(11-9-14)24(3,4)5/h8-11,17-18H,7,12H2,1-6H3,(H,26,28)(H2,25,27,31)
InChIKey
NMRIRLZGPYHMJT-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2CC2C3=CC=C(C=C3)C(C)(C)C)C
InChI=1SC24H31N3O3S2c171613(2)3221(19(16)22(29)306)2523(31)272620(28)181217(18)1481015(11914)24(34)5h8111718H712H216H3(H2628)(H2252731)
METHYL2(((((2(4(TERTBUTYL)PHENYL)CYCLOPROPYL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2(((2(((1R2S)2(4TERTBUTYLPHENYL)CYCLOPROPYL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2(((2(((1S2R)2(4TERTBUTYLPHENYL)CYCLOPROPYL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2(((2(((1S2S)2(4TERTBUTYLPHENYL)CYCLOPROPYL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((2((2(4tertbutylphenyl)cyclopropyl)carbonyl)hydrazinyl)carbonothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2(((2(4TERTBUTYLPHENYL)CYCLOPROPANECARBONYL)AMINO)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD04137213
ZINC000002856729
ZINC000002856732

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Available files

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