Vitas-M small molecule compound

2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STL062574
SMILES COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCC3)ccc1OC

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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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c1-27-14-9-7-12(11-15(14)28-2)8-10-17(25)23-21(29)24-20-18(19(22)26)13-5-3-4-6-16(13)30-20/h7-11H,3-6H2,1-2H3,(H2,22,26)(H2,23,24,25,29)/b10-8+
InChIKey
YGGQMQALBUOKFC-CSKARUKUSA-N
Synonyms

2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC
COc1cc(C=CC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCC3)ccc1OC
InChI=1SC21H23N3O4S2c127149712(1115(14)282)81017(25)2321(29)242018(19(22)26)13534616(13)3020h711H36H212H3(H22226)(H223242529)b108+
MFCD03591385
ZINC000012289524
ZINC12289524

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Available files

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