Vitas-M small molecule compound

methyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STL391290
SMILES CCN1C(=N/C(=C/c2cnn(c2C)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2

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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 C24H29N5O4S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O4S2/c1-5-29-22(31)17(11-15-12-25-28(3)14(15)2)26-24(29)34-13-19(30)27-21-20(23(32)33-4)16-9-7-6-8-10-18(16)35-21/h11-12H,5-10,13H2,1-4H3,(H,27,30)/b17-11+
InChIKey
WVFLIUCUWLDBMK-GZTJUZNOSA-N
Synonyms
1005641-00-8
1005641008
CCN1C(=NC(=Cc2cnn(c2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2
CCN1C(=O)C(=CC2=C(N(N=C2)C)C)N=C1SCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC
InChI=1SC24H29N5O4S2c152922(31)17(1115122528(3)14(15)2)2624(29)341319(30)272120(23(32)334)1697681018(16)3521h1112H51013H214H3(H2730)b1711+
methyl2(((((4E)4((15dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2((4E)4((15dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04050177
ZINC000022840240
ZINC22840240

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Available files

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