Vitas-M small molecule compound
trans-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}-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
Catalog ID
STL579274
SMILES O=C(C1CC[C@H](CC1)Cn1cnnn1)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 C22H31N7O2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N7O2/c30-21-3-1-2-20-19-10-17(13-29(20)21)11-27(14-19)9-8-23-22(31)18-6-4-16(5-7-18)12-28-15-24-25-26-28/h1-3,15-19H,4-14H2,(H,23,31)/t16-,17-,18?,19+/m1/s1InChIKey
PMUMDPLNZHYFQZ-VPQXAQPCSA-NSynonyms
(1r4R)4((1Htetrazol1yl)methyl)N(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)cyclohexanecarboxamide
InChI=1SC22H31N7O2c302131220191017(1329(20)21)1127(1419)982322(31)186416(5718)12281524252628h131519H414H2(H2331)t161718?19+m1s1
O=C((C@@H)1CC(C@@H)(CC1)Cn1cnnn1)NCCN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
transN(2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)4(1Htetrazol1ylmethyl)cyclohexanecarboxamide
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