Vitas-M small molecule compound
1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL332912
SMILES C/C(=C/CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3)/Cl
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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 C22H21ClN4OS2 MW 457.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4OS2/c1-13-6-5-7-15(12-13)26-19(28)18-16-8-3-4-9-17(16)30-20(18)27-21(26)24-25-22(27)29-11-10-14(2)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3/b14-10-InChIKey
DJCZZYZBCQYVPJ-UVTDQMKNSA-NSynonyms
383904-40-3(Z)1((3chlorobut2en1yl)thio)4(mtolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(((2Z)3chlorobut2en1yl)sulfanyl)4(3methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
383904403
CC(=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C(C)Cl)SC5=C3CCCC5
InChI=1SC22H21ClN4OS2c11365715(1213)2619(28)1816834917(16)3020(18)2721(26)242522(27)29111014(2)23h571012H348911H212H3b1410
MFCD03284025
ZINC000013551596
ZINC13551596
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