Vitas-M small molecule compound

methyl 2-{[(E)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL367433
SMILES CCN1C(=O)NC(=O)/C(=C\Nc2sc3c(c2C(=O)OC)CCCC3)/C1=O

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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 C17H19N3O5S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5S/c1-3-20-15(22)10(13(21)19-17(20)24)8-18-14-12(16(23)25-2)9-6-4-5-7-11(9)26-14/h8,18H,3-7H2,1-2H3,(H,19,21,24)/b10-8+
InChIKey
BCBSISUHASVBJP-CSKARUKUSA-N
Synonyms

CCN1C(=O)C(=CNC2=C(C3=C(S2)CCCC3)C(=O)OC)C(=O)NC1=O
CCN1C(=O)NC(=O)C(=CNc2sc3c(c2C(=O)OC)CCCC3)C1=O
InChI=1SC17H19N3O5Sc132015(22)10(13(21)1917(20)24)8181412(16(23)252)9645711(9)2614h818H37H212H3(H192124)b108+
methyl2(((E)(1ethyl246trioxo13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)(1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD28951798
ZINC000098086272
ZINC98086272

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Available files

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