Vitas-M small molecule compound
ethyl 2-[({[5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK139630
SMILES C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nnc1CNC(=O)c1ccccc1F
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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 C26H28FN5O4S2 MW 557.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FN5O4S2/c1-3-13-32-20(14-28-23(34)16-9-5-7-11-18(16)27)30-31-26(32)37-15-21(33)29-24-22(25(35)36-4-2)17-10-6-8-12-19(17)38-24/h3,5,7,9,11H,1,4,6,8,10,12-15H2,2H3,(H,28,34)(H,29,33)InChIKey
MWCCMEHKKOUZBJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC=C)CNC(=O)C4=CC=CC=C4F
ethyl2((((5((((2fluorophenyl)carbonyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(((2fluorobenzoyl)amino)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H28FN5O4S2c13133220(142823(34)169571118(16)27)303126(32)371521(33)292422(25(35)3642)1710681219(17)3824h357911H1468101215H22H3(H2834)(H2933)
MFCD04378714
ZINC000059776029
ZINC59776029
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