Vitas-M small molecule compound
4-benzyl-8-tert-butyl-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK804968
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCC(C3)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 C25H28N4OS2 MW 464.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4OS2/c1-5-13-31-24-27-26-23-28(15-16-9-7-6-8-10-16)21(30)20-18-12-11-17(25(2,3)4)14-19(18)32-22(20)29(23)24/h5-10,17H,1,11-15H2,2-4H3InChIKey
CXCFDFZQSVYBOA-UHFFFAOYSA-NSynonyms
351338-61-91(allylthio)4benzyl8(tertbutyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
351338619
4benzyl8tertbutyl1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)CC5=CC=CC=C5
InChI=1SC25H28N4OS2c1513312427262328(151697681016)21(30)2018121117(25(23)4)1419(18)3222(20)29(23)24h51017H11115H224H3
MFCD01897881
ZINC000002957610
ZINC000002957612
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