Vitas-M small molecule compound
3-(2-{[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}propanoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL111923
SMILES CCOc1ccc(cc1)n1nnnc1SC(C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C23H26N6O3S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O3S/c1-3-32-19-9-7-18(8-10-19)29-23(24-25-26-29)33-15(2)22(31)27-12-16-11-17(14-27)20-5-4-6-21(30)28(20)13-16/h4-10,15-17H,3,11-14H2,1-2H3InChIKey
UOMKLZQLHJLXKU-UHFFFAOYSA-NSynonyms
(1R5S)3(2((1(4ethoxyphenyl)1Htetrazol5yl)thio)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3(2((1(4ethoxyphenyl)1Htetrazol5yl)sulfanyl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCOC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
CCOc1ccc(cc1)n1nnnc1SC(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC23H26N6O3Sc1332199718(81019)2923(24252629)3315(2)22(31)2712161117(1427)2054621(30)28(20)1316h4101517H31114H212H3
MFCD09983538
ZINC000008791493
ZINC000011692843
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