Vitas-M small molecule compound

N-benzyl-2-[({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK284564
SMILES O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)CSc1nnc(n1C)CN1CCOCC1

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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 C26H32N6O3S2 MW 540.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N6O3S2/c1-31-21(16-32-11-13-35-14-12-32)29-30-26(31)36-17-22(33)28-25-23(19-9-5-6-10-20(19)37-25)24(34)27-15-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-17H2,1H3,(H,27,34)(H,28,33)
InChIKey
ZPTWXLMSIFZOPS-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)CN5CCOCC5
InChI=1SC26H32N6O3S2c13121(1632111335141232)293026(31)361722(33)282523(199561020(19)3725)24(34)2715187324818h2478H56917H21H3(H2734)(H2833)
MFCD05987624
Nbenzyl2((((4methyl5(morpholin4ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((2((4methyl5(morpholin4ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000059596482
ZINC59596482

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Available files

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