Vitas-M small molecule compound
5-(2,3-dihydro-1-benzofuran-5-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
STL578989
SMILES O=C(c1n[nH]c(c1)c1ccc2c(c1)CCO2)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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c31-24-3-1-2-22-19-10-16(14-30(22)24)13-29(15-19)8-7-26-25(32)21-12-20(27-28-21)17-4-5-23-18(11-17)6-9-33-23/h1-5,11-12,16,19H,6-10,13-15H2,(H,26,32)(H,27,28)/t16-,19+/m1/s1InChIKey
MNRNZJXHHZWLCM-APWZRJJASA-NSynonyms
3(23dihydrobenzofuran5yl)N(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)1Hpyrazole5carboxamide
5(23dihydro1benzofuran5yl)N(2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)1Hpyrazole3carboxamide
InChI=1SC25H27N5O3c312431222191016(1430(22)24)1329(1519)872625(32)211220(272821)17452318(1117)693323h1511121619H6101315H2(H2632)(H2728)t1619+m1s1
MFCD33397393
O=C(c1(nH)nc(c1)c1ccc2c(c1)CCO2)NCCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
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