Vitas-M small molecule compound
N-{1-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Catalog ID
STK118428
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)C(C(C)C)NC(=O)c2ccccc2)sc2c1CCCC2
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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 C26H30N6O2S2 MW 522.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O2S2/c1-4-32-23(22(16(2)3)29-24(34)17-10-6-5-7-11-17)30-31-26(32)35-15-21(33)28-25-19(14-27)18-12-8-9-13-20(18)36-25/h5-7,10-11,16,22H,4,8-9,12-13,15H2,1-3H3,(H,28,33)(H,29,34)InChIKey
NNTYQCZRTMCXHG-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(C(C)C)NC(=O)C4=CC=CC=C4
InChI=1SC26H30N6O2S2c143223(22(16(2)3)2924(34)17106571117)303126(32)351521(33)282519(1427)1812891320(18)3625h5710111622H489121315H213H3(H2833)(H2934)
MFCD03996376
N(1(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)2methylpropyl)benzamide
N(1(5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)2methylpropyl)benzamide
ZINC000009305052
ZINC000009305054
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