Vitas-M small molecule compound
ethyl 2-({[5-chloro-2-(ethylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK883317
SMILES CCSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)Cl
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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 C18H20ClN3O3S2 MW 425.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O3S2/c1-3-25-17(24)13-10-7-5-6-8-12(10)27-16(13)22-15(23)14-11(19)9-20-18(21-14)26-4-2/h9H,3-8H2,1-2H3,(H,22,23)InChIKey
KEPBJAAYVOVNDW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC
ethyl2(((5chloro2(ethylsulfanyl)pyrimidin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5chloro2ethylsulfanylpyrimidine4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H20ClN3O3S2c132517(24)1310756812(10)2716(13)2215(23)1411(19)92018(2114)2642h9H38H212H3(H2223)
MFCD06646822
ZINC000008614296
ZINC08614296
ZINC8614296
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