Vitas-M small molecule compound
methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK470390
SMILES OCCN1CCN(CC1)C(=S)Nc1sc2c(c1C(=O)OC)CCC(C2)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 C18H27N3O3S2 MW 397.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O3S2/c1-12-3-4-13-14(11-12)26-16(15(13)17(23)24-2)19-18(25)21-7-5-20(6-8-21)9-10-22/h12,22H,3-11H2,1-2H3,(H,19,25)InChIKey
ZVRFLPLYBBFDDX-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)CCO
InChI=1SC18H27N3O3S2c112341314(1112)2616(15(13)17(23)242)1918(25)217520(6821)91022h1222H311H212H3(H1925)
methyl2(((4(2hydroxyethyl)piperazin1yl)carbonothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4(2hydroxyethyl)piperazine1carbothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD07625591
ZINC000017081359
ZINC000017081360
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