Vitas-M small molecule compound
5-(4-methoxybenzyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525307
SMILES C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC
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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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-3-11-30-25(34)27(24(33)28-26(30)35,13-18-7-9-21(36-2)10-8-18)17-29-14-19-12-20(16-29)22-5-4-6-23(32)31(22)15-19/h3-10,19-20H,1,11-17H2,2H3,(H,28,33,35)/t19-,20+,27?/m0/s1InChIKey
YQJUXTGBQNAGHT-DFIBSWMPSA-NSynonyms
1allyl5(4methoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4methoxybenzyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1(prop2en1yl)pyrimidine246(1H3H5H)trione
C=CCN1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC
InChI=1SC27H30N4O5c13113025(34)27(24(33)2826(30)3513187921(362)10818)172914191220(1629)2254623(32)31(22)1519h3101920H11117H22H3(H283335)t1920+27?m0s1
MFCD01549343
ZINC000100743341
ZINC000100743343
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