Vitas-M small molecule compound

ethyl 2-{[(3,6-diamino-5-cyanothieno[2,3-b]pyridin-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK247012
SMILES CCOC(=O)c1c(NC(=O)c2sc3c(c2N)cc(c(n3)N)C#N)sc2c1CCC2

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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 C19H17N5O3S2 MW 427.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O3S2/c1-2-27-19(26)12-9-4-3-5-11(9)28-18(12)24-16(25)14-13(21)10-6-8(7-20)15(22)23-17(10)29-14/h6H,2-5,21H2,1H3,(H2,22,23)(H,24,25)
InChIKey
PJRVBJPIEAXFIT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C4=C(S3)N=C(C(=C4)C#N)N)N
ethyl2(((36diamino5cyanothieno(23b)pyridin2yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((36DIAMINO5CYANOTHIENO(23B)PYRIDINE2CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ETHYL2((36DIAMINO5CYANOTHIOPHENO(23B)PYRIDIN2YL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
InChI=1SC19H17N5O3S2c122719(26)12943511(9)2818(12)2416(25)1413(21)1068(720)15(22)2317(10)2914h6H2521H21H3(H22223)(H2425)
MFCD00287687
ZINC000018240422
ZINC18240422

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Available files

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