Vitas-M small molecule compound
5-(furan-2-yl)-N-{2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-1H-pyrazole-3-carboxamide
Catalog ID
STL578935
SMILES O=C(c1n[nH]c(c1)c1ccco1)NCCN1C[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 C21H23N5O3 MW 393.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3/c27-20-5-1-3-18-15-9-14(12-26(18)20)11-25(13-15)7-6-22-21(28)17-10-16(23-24-17)19-4-2-8-29-19/h1-5,8,10,14-15H,6-7,9,11-13H2,(H,22,28)(H,23,24)/t14-,15+/m1/s1InChIKey
LXLAJQMZMRCBSV-CABCVRRESA-NSynonyms
3(furan2yl)N(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)1Hpyrazole5carboxamide
5(furan2yl)N(2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)1Hpyrazole3carboxamide
InChI=1SC21H23N5O3c27205131815914(1226(18)20)1125(1315)762221(28)171016(232417)194282919h158101415H6791113H2(H2228)(H2324)t1415+m1s1
MFCD33397352
O=C(c1(nH)nc(c1)c1ccco1)NCCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
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