Vitas-M small molecule compound
ethyl 2-({[(4-cyclopropyl-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL175806
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2C2CC2)CC)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 C20H26N4O3S2 MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S2/c1-3-15-22-23-20(24(15)12-9-10-12)28-11-16(25)21-18-17(19(26)27-4-2)13-7-5-6-8-14(13)29-18/h12H,3-11H2,1-2H3,(H,21,25)InChIKey
CZSQDZWIFXWPSR-UHFFFAOYSA-NSynonyms
938014-00-7938014007
CCC1=NN=C(N1C2CC2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC
ethyl2((((4cyclopropyl5ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4cyclopropyl5ethyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H26N4O3S2c1315222320(24(15)1291012)281116(25)211817(19(26)2742)13756814(13)2918h12H311H212H3(H2125)
MFCD08553875
ZINC000036612159
ZINC36612159
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