Vitas-M small molecule compound
8-tert-butyl-4-(4-methylphenyl)-1-thioxo-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STL037625
SMILES Cc1ccc(cc1)n1c(=O)c2c3CCC(Cc3sc2n2c1n[nH]c2=S)C(C)(C)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 C22H24N4OS2 MW 424.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS2/c1-12-5-8-14(9-6-12)25-18(27)17-15-10-7-13(22(2,3)4)11-16(15)29-19(17)26-20(25)23-24-21(26)28/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,24,28)InChIKey
HULKOQKPRZORPD-UHFFFAOYSA-NSynonyms
8tertbutyl4(4methylphenyl)1thioxo246789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(1H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC(C5)C(C)(C)C
Cc1ccc(cc1)n1c(=O)c2c3CCC(Cc3sc2n2c1n(nH)c2=S)C(C)(C)C
InChI=1SC22H24N4OS2c1125814(9612)2518(27)171510713(22(23)4)1116(15)2919(17)2620(25)232421(26)28h568913H71011H214H3(H2428)
MFCD03808909
ZINC000002293784
ZINC000002293785
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