Vitas-M small molecule compound

methyl 2-[({2-[3-(3,4-dihydroxyphenyl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate

Catalog ID
STK457409
SMILES COC(=O)c1cc(sc1NC(=S)NNC(=O)CCc1ccc(c(c1)O)O)c1ccccc1

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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 C22H21N3O5S2 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S2/c1-30-21(29)15-12-18(14-5-3-2-4-6-14)32-20(15)23-22(31)25-24-19(28)10-8-13-7-9-16(26)17(27)11-13/h2-7,9,11-12,26-27H,8,10H2,1H3,(H,24,28)(H2,23,25,31)
InChIKey
GEOYTUHZFJZPSB-UHFFFAOYSA-N
Synonyms
701932-26-5
701932265
COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC3=CC(=C(C=C3)O)O
InChI=1SC22H21N3O5S2c13021(29)151218(145324614)3220(15)2322(31)252419(28)108137916(26)17(27)1113h27911122627H810H21H3(H2428)(H2232531)
METHYL2((((3(34DIHYDROXYPHENYL)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2(3(34dihydroxyphenyl)propanoyl)hydrazinyl)carbonothioyl)amino)5phenylthiophene3carboxylate
METHYL2(((2(3(34DIHYDROXYPHENYL)PROPANOYL)HYDRAZINYL)CARBOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((3(34DIHYDROXYPHENYL)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD05074675
ZINC000002852713
ZINC02852713
ZINC2852713

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.