Vitas-M small molecule compound
1-benzyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525971
SMILES O=C1NC(=O)C(C(=O)N1Cc1ccccc1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccs1
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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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c33-24-10-4-9-23-21-12-20(16-31(23)24)14-30(17-21)18-28(13-22-8-5-11-37-22)25(34)29-27(36)32(26(28)35)15-19-6-2-1-3-7-19/h1-11,20-21H,12-18H2,(H,29,34,36)/t20-,21+,28?/m0/s1InChIKey
RQCUDQDTJPDZIU-PBJGFXAXSA-NSynonyms
1benzyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)5(thiophen2ylmethyl)pyrimidine246(1H3H5H)trione
1benzyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(thiophen2ylmethyl)pyrimidine246(1H3H5H)trione
InChI=1SC28H28N4O4Sc3324104923211220(1631(23)24)1430(1721)1828(132285113722)25(34)2927(36)32(26(28)35)15196213719h1112021H1218H2(H293436)t2021+28?m0s1
MFCD01549698
O=C1NC(=O)C(C(=O)N1Cc1ccccc1)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1cccs1
ZINC000020111288
ZINC000020111290
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