Vitas-M small molecule compound

N-(1,3-benzothiazol-2-yl)-2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide

Catalog ID
STL528043
SMILES O=C(Nc1nc2c(s1)cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c25-18(22-20-21-15-4-1-2-6-17(15)27-20)12-23-9-13-8-14(11-23)16-5-3-7-19(26)24(16)10-13/h1-7,13-14H,8-12H2,(H,21,22,25)/t13-,14+/m0/s1
InChIKey
GPGPCHBOJBRVRG-UONOGXRCSA-N
Synonyms

InChI=1SC20H20N4O2Sc2518(22202115412617(15)2720)1223913814(1123)1653719(26)24(16)1013h171314H812H2(H212225)t1314+m0s1
MFCD03852539
N(13benzothiazol2yl)2((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetamide
N(benzo(d)thiazol2yl)2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetamide
O=C(Nc1nc2c(s1)cccc2)CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000002093259

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Available files

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