Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302645
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2c2ccccc2OC)c2nn(c(c2Cl)C)C)sc2c1CCC(C2)CC
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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 C29H33ClN6O4S2 MW 629.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33ClN6O4S2/c1-6-17-12-13-18-21(14-17)42-27(23(18)28(38)40-7-2)31-22(37)15-41-29-33-32-26(25-24(30)16(3)35(4)34-25)36(29)19-10-8-9-11-20(19)39-5/h8-11,17H,6-7,12-15H2,1-5H3,(H,31,37)InChIKey
UUALJLWJNYAFGV-UHFFFAOYSA-NSynonyms
957490-73-2957490732
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)C5=NN(C(=C5Cl)C)C
ethyl2((((5(4chloro15dimethyl1Hpyrazol3yl)4(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(4chloro15dimethylpyrazol3yl)4(2methoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H33ClN6O4S2c161712131821(1417)4227(23(18)28(38)4072)3122(37)154129333226(2524(30)16(3)35(4)3425)36(29)1910891120(19)395h81117H671215H215H3(H3137)
MFCD04048369
ZINC000008450925
ZINC000008450926
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