Vitas-M small molecule compound
4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK226194
SMILES O=C(c1sc2c(c1Cl)cccc2)OCC#CCSc1nc2c(n1Cc1ccccc1)cccc2
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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 C27H19ClN2O2S2 MW 503.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN2O2S2/c28-24-20-12-4-7-15-23(20)34-25(24)26(31)32-16-8-9-17-33-27-29-21-13-5-6-14-22(21)30(27)18-19-10-2-1-3-11-19/h1-7,10-15H,16-18H2InChIKey
PUGYTBQNBSASTE-UHFFFAOYSA-NSynonyms
4((1benzyl1Hbenzimidazol2yl)sulfanyl)but2yn1yl3chloro1benzothiophene2carboxylate
4(1benzylbenzimidazol2yl)sulfanylbut2ynyl3chloro1benzothiophene2carboxylate
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC#CCOC(=O)C4=C(C5=CC=CC=C5S4)Cl
InChI=1SC27H19ClN2O2S2c28242012471523(20)3425(24)26(31)321689173327292113561422(21)30(27)1819102131119h171015H1618H2
MFCD04380354
ZINC000009290149
ZINC09290149
ZINC9290149
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