Vitas-M small molecule compound

[2-(2-chlorophenyl)-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1,3-oxazol-4-yl](triphenyl)phosphonium

Catalog ID
STL147287
SMILES Clc1ccccc1c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CC2CC(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 C38H32ClN3O2P MW 629.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32ClN3O2P/c39-33-20-11-10-19-32(33)36-40-37(38(44-36)41-24-27-23-28(26-41)34-21-12-22-35(43)42(34)25-27)45(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-22,27-28H,23-26H2/q+1
InChIKey
ZNVGRRYPEWIAGD-UHFFFAOYSA-N
Synonyms

(2(2chlorophenyl)5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)oxazol4yl)triphenylphosphoniumperchlorate
(2(2chlorophenyl)5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)13oxazol4yl)(triphenyl)phosphonium
(O)(Cl)(=O)(=O)=OClc1ccccc1c1oc(c(n1)(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(N=C(O4)C5=CC=CC=C5Cl)(P+)(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
Clc1ccccc1c1oc(c(n1)(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)N1CC2CC(C1)c1n(C2)c(=O)ccc1
InChI=1SC38H32ClN3O2Pc39332011101932(33)364037(38(4436)4124272328(2641)3421122235(43)42(34)2527)45(2913415142930156271630)31178391831h1222728H2326H2q+1
ZINC000102924106

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Available files

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