Vitas-M small molecule compound
ethyl 6-ethyl-2-({[(1S,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
STK688381
SMILES CCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)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 C25H31N3O3S2 MW 485.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3S2/c1-3-15-8-9-18-20(11-15)33-23(22(18)24(30)31-4-2)26-25(32)27-12-16-10-17(14-27)19-6-5-7-21(29)28(19)13-16/h5-7,15-17H,3-4,8-14H2,1-2H3,(H,26,32)/t15?,16-,17+/m0/s1InChIKey
OTJWXIZZFDLVTQ-LRUHZDSUSA-NSynonyms
CCOC(=O)c1c(NC(=S)N2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCC(C2)CC
CCOC(=O)c1c(NC(=S)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCC(C2)CC
ethyl6ethyl2((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD04146706
ZINC000002107447
ZINC000002107448
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