Vitas-M small molecule compound
ethyl 2-[({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK130171
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2ccncc2)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 C20H21N5O3S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S2/c1-2-28-19(27)16-13-5-3-4-6-14(13)30-18(16)22-15(26)11-29-20-23-17(24-25-20)12-7-9-21-10-8-12/h7-10H,2-6,11H2,1H3,(H,22,26)(H,23,24,25)InChIKey
FYOLBIGMMBETTH-UHFFFAOYSA-NSynonyms
663211-82-3663211823
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4
CCOC(=O)c1c(NC(=O)CSc2nnc((nH)2)c2ccncc2)sc2c1CCCC2
ethyl2((((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5pyridin4yl1H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((5(pyridin4yl)4H124triazol3yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC20H21N5O3S2c122819(27)1613534614(13)3018(16)2215(26)1129202317(242520)12792110812h710H2611H21H3(H2226)(H232425)
MFCD04014652
ZINC000018179837
ZINC18179837
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