Vitas-M small molecule compound
methyl 2-({[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK688384
SMILES COC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)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 C22H25N3O3S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S2/c1-28-21(27)19-15-5-2-3-7-17(15)30-20(19)23-22(29)24-10-13-9-14(12-24)16-6-4-8-18(26)25(16)11-13/h4,6,8,13-14H,2-3,5,7,9-12H2,1H3,(H,23,29)/t13-,14+/m0/s1InChIKey
OLXYWZQPWSPEIK-UONOGXRCSA-NSynonyms
COC(=O)c1c(NC(=S)N2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCC2
COC(=O)c1c(NC(=S)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCC2
methyl2((((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD04143236
ZINC000002098826
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