Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL380907
SMILES N#Cc1c(NC(=O)CSc2nnc(n2c2ccccc2)CN2CCOCC2)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 C28H34N6O2S2 MW 550.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6O2S2/c1-28(2,3)19-9-10-21-22(16-29)26(38-23(21)15-19)30-25(35)18-37-27-32-31-24(17-33-11-13-36-14-12-33)34(27)20-7-5-4-6-8-20/h4-8,19H,9-15,17-18H2,1-3H3,(H,30,35)InChIKey
NDBOLHYNVPYFPJ-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCOCC5
InChI=1SC28H34N6O2S2c128(23)199102122(1629)26(3823(21)1519)3025(35)183727323124(1733111336141233)34(27)207546820h4819H9151718H213H3(H3035)
MFCD05134538
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(morpholin4ylmethyl)4phenyl124triazol3yl)sulfanyl)acetamide
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000001105188
ZINC000004396252
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