Vitas-M small molecule compound
propan-2-yl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305393
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C27H35N5O5S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O5S2/c1-16(2)37-26(35)23-19-9-6-7-10-21(19)39-24(23)29-22(33)15-38-27-28-20(13-18-14-31(4)30-17(18)3)25(34)32(27)11-8-12-36-5/h13-14,16H,6-12,15H2,1-5H3,(H,29,33)/b20-13+InChIKey
LMKAOMRQHGNGTG-DEDYPNTBSA-NSynonyms
1005671-94-21005671942
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)CCCOC)C
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
InChI=1SC27H35N5O5S2c116(2)3726(35)23199671021(19)3924(23)2922(33)1538272820(13181431(4)3017(18)3)25(34)32(27)11812365h131416H61215H215H3(H2933)b2013+
MFCD04050459
propan2yl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000102000997
ZINC102000997
Check stock
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