Vitas-M small molecule compound
ethyl 4-{[(1Z)-5-oxo-4-(prop-2-en-1-yl)-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1(2H)-ylidene]amino}benzoate
Catalog ID
STL044532
SMILES CCOC(=O)c1ccc(cc1)/N=c/1\[nH]nc2n1c1sc3c(c1c(=O)n2CC=C)CCC3
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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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-3-12-26-18(28)17-15-6-5-7-16(15)31-19(17)27-21(24-25-22(26)27)23-14-10-8-13(9-11-14)20(29)30-4-2/h3,8-11H,1,4-7,12H2,2H3,(H,23,24)InChIKey
DRVODEBZDATYLH-UHFFFAOYSA-NSynonyms
585559-43-9585559439
CCOC(=O)C1=CC=C(C=C1)NC2=NN=C3N2C4=C(C5=C(S4)CCC5)C(=O)N3CC=C
CCOC(=O)c1ccc(cc1)N=c1(nH)nc2n1c1sc3c(c1c(=O)n2CC=C)CCC3
ethyl4(((1Z)5oxo4(prop2en1yl)4578tetrahydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin1(2H)ylidene)amino)benzoate
InChI=1SC22H21N5O3Sc13122618(28)171565716(15)3119(17)2721(242522(26)27)231410813(91114)20(29)3042h3811H14712H22H3(H2324)
MFCD04075934
ZINC000001264371
ZINC01264371
ZINC1264371
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