Vitas-M small molecule compound

N'-[(1Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]-2-(4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanehydrazide

Catalog ID
STK308582
SMILES O=C(C(n1cnc2c(c1=O)c1CCCc1s2)C)N/N=C(\c1ccc2c(c1)OCCO2)/C

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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-12(14-6-7-16-17(10-14)30-9-8-29-16)24-25-20(27)13(2)26-11-23-21-19(22(26)28)15-4-3-5-18(15)31-21/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,25,27)/b24-12-
InChIKey
CHYHSTNFKMCWEI-MSXFZWOLSA-N
Synonyms
676522-27-3
676522273
CC(C(=O)NN=C(C)C1=CC2=C(C=C1)OCCO2)N3C=NC4=C(C3=O)C5=C(S4)CCC5
InChI=1SC22H22N4O4Sc112(14671617(1014)30982916)242520(27)13(2)2611232119(22(26)28)1543518(15)3121h67101113H3589H212H3(H2527)b2412
MFCD04132365
N((1Z)1(23dihydro14benzodioxin6yl)ethylidene)2(4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)propanehydrazide
N((Z)1(23dihydro14benzodioxin6yl)ethylideneamino)2(1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)propanamide
O=C(C(n1cnc2c(c1=O)c1CCCc1s2)C)NN=C(c1ccc2c(c1)OCCO2)C
ZINC000013959930
ZINC000013959931

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Available files

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