Vitas-M small molecule compound
1-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720511
SMILES C/C(=C\CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)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 C23H23ClN4OS2 MW 471.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4OS2/c1-15(24)12-14-30-23-26-25-22-27(13-11-16-7-3-2-4-8-16)20(29)19-17-9-5-6-10-18(17)31-21(19)28(22)23/h2-4,7-8,12H,5-6,9-11,13-14H2,1H3/b15-12+InChIKey
RBIRPUMNRQSTJJ-NTCAYCPXSA-NSynonyms
499116-21-1(E)1((3chlorobut2en1yl)thio)4phenethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(((2E)3chlorobut2en1yl)sulfanyl)4(2phenylethyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
499116211
CC(=CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5)Cl
CC(=CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3)Cl
InChI=1SC23H23ClN4OS2c115(24)1214302326252227(1311167324816)20(29)19179561018(17)3121(19)28(22)23h247812H569111314H21H3b1512+
MFCD03302374
ZINC000009356765
ZINC09356765
ZINC9356765
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