Vitas-M small molecule compound
methyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303001
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nnc1c1cc(nn1C)C
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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 C27H30N6O4S2 MW 566.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O4S2/c1-5-37-18-12-10-17(11-13-18)33-24(20-14-16(2)31-32(20)3)29-30-27(33)38-15-22(34)28-25-23(26(35)36-4)19-8-6-7-9-21(19)39-25/h10-14H,5-9,15H2,1-4H3,(H,28,34)InChIKey
LPMGAEXIOFGZPK-UHFFFAOYSA-NSynonyms
1005664-26-51005664265
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=CC(=NN5C)C
InChI=1SC27H30N6O4S2c153718121017(111318)3324(201416(2)3132(20)3)293027(33)381522(34)282523(26(35)364)19867921(19)3925h1014H5915H214H3(H2834)
methyl2((((5(13dimethyl1Hpyrazol5yl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(25dimethylpyrazol3yl)4(4ethoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048676
ZINC000002758643
ZINC2758643
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