Vitas-M small molecule compound
tert-butyl {(2S)-3-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}carbamate
Catalog ID
STL530012
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(C)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 C21H31N3O4 MW 389.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O4/c1-13(2)18(22-20(27)28-21(3,4)5)19(26)23-10-14-9-15(12-23)16-7-6-8-17(25)24(16)11-14/h6-8,13-15,18H,9-12H2,1-5H3,(H,22,27)/t14-,15+,18-/m0/s1InChIKey
QNHVKSYVCUQPFX-DAYGRLMNSA-NSynonyms
InChI=1SC21H31N3O4c113(2)18(2220(27)2821(34)5)19(26)231014915(1223)1676817(25)24(16)1114h68131518H912H215H3(H2227)t1415+18m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C(C)C
tertbutyl((2S)3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)carbamate
tertbutyl((S)3methyl1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butan2yl)carbamate
ZINC000004088835
Check stock
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