Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Catalog ID
STL380906
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)Cc2ccccc2)sc2c1CCC(C2)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 C26H31N5OS2 MW 493.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5OS2/c1-5-31-22(13-17-9-7-6-8-10-17)29-30-25(31)33-16-23(32)28-24-20(15-27)19-12-11-18(26(2,3)4)14-21(19)34-24/h6-10,18H,5,11-14,16H2,1-4H3,(H,28,32)InChIKey
HZCIUDLTRWXEGP-UHFFFAOYSA-NSynonyms
2((5benzyl4ethyl124triazol3yl)sulfanyl)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)acetamide
2((5benzyl4ethyl4H124triazol3yl)sulfanyl)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)CC4=CC=CC=C4
InChI=1SC26H31N5OS2c153122(131797681017)293025(31)331623(32)282420(1527)19121118(26(23)4)1421(19)3424h61018H5111416H214H3(H2832)
MFCD05841771
ZINC000002847072
ZINC000002847073
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