Vitas-M small molecule compound

methyl 5-chloro-3-({2-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate

Catalog ID
STK539289
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@@H]3C[C@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)Cl

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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 C24H25ClN4O4 MW 468.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4O4/c1-13(28-10-14-8-15(12-28)19-4-3-5-20(30)29(19)11-14)23(31)27-21-17-9-16(25)6-7-18(17)26-22(21)24(32)33-2/h3-7,9,13-15,26H,8,10-12H2,1-2H3,(H,27,31)/t13?,14-,15+/m1/s1
InChIKey
YEOGNTRCDZYZBO-DMJDIKPUSA-N
Synonyms

COC(=O)c1(nH)c2c(c1NC(=O)C(N1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)C)cc(cc2)Cl
methyl5chloro3((2((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propanoyl)amino)1Hindole2carboxylate
methyl5chloro3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propanamido)1Hindole2carboxylate
MFCD18241752
ZINC000002314123
ZINC000002314124

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Available files

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